data_2k48_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2k48 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 118.056 -0.974 . . . . 10.0 112.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.18 -49.95 72.58 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.556 1.525 . . . . 10.0 110.224 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.22 -34.73 78.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 120.652 -0.419 . . . . 10.0 110.94 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.29 -49.1 65.6 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.059 2.143 . . . . 10.0 112.806 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.5 -34.8 35.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.266 0.939 . . . . 10.0 113.024 -170.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -67.4 -29.24 68.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.27 1.428 . . . . 10.0 110.734 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.48 -37.44 60.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.165 0.986 . . . . 10.0 110.84 168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.43 -43.95 97.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.579 1.152 . . . . 10.0 111.575 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -57.92 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 C-N-CA 125.86 1.664 . . . . 10.0 108.192 169.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.101 0.96 . . . . 10.0 111.885 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 62.99 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.248 -0.908 . . . . 10.0 112.024 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.327 1.9 t60 -69.42 -19.73 63.79 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.181 1.393 . . . . 10.0 111.485 169.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.93 -43.24 25.11 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.04 -1.662 . . . . 10.0 110.162 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -66.15 -36.32 82.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.584 1.538 . . . . 10.0 111.166 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -66.63 -23.83 66.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.09 -1.006 . . . . 10.0 110.263 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.7 tp -79.15 -42.57 25.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.325 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 m -60.66 -41.38 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 120.606 1.548 . . . . 10.0 109.824 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 m -67.39 -40.08 85.64 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 115.936 -1.983 . . . . 10.0 109.067 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.87 75.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.24 2.291 . . . . 10.0 111.466 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.89 -46.42 89.45 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.804 0.729 . . . . 10.0 110.429 169.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.99 -32.72 74.37 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.075 2.15 . . . . 10.0 113.237 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.74 -39.7 64.07 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 125.794 1.638 . . . . 10.0 109.418 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.462 0.0 OUTLIER -67.86 -35.31 78.32 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.552 -0.737 . . . . 10.0 111.426 171.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -32.49 74.06 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.591 -1.943 . . . . 10.0 113.408 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.03 -25.21 61.72 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.772 1.229 . . . . 10.0 112.434 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.73 39.46 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.686 -1.259 . . . . 10.0 111.508 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.83 -39.65 87.71 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.199 -1.563 . . . . 10.0 109.25 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.9 -22.05 61.88 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 124.439 1.096 . . . . 10.0 111.968 169.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.84 -45.91 16.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.0 p -65.25 -19.58 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 120.925 -1.11 . . . . 10.0 111.395 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.02 -48.01 78.02 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.306 -1.496 . . . . 10.0 111.356 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 m -88.66 -36.96 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.447 1.499 . . . . 10.0 113.907 -169.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.78 76.47 7.37 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.636 0.774 . . . . 10.0 111.888 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 7.6 Cg_endo -62.09 54.66 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.99 1 C-N-CA 126.851 5.034 . . . . 10.0 117.723 -175.671 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.32 150.35 38.49 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 120.209 -1.557 . . . . 10.0 108.436 167.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.4 t70 -56.49 -24.94 49.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.791 0.805 . . . . 10.0 113.024 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.62 -41.67 88.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 116.189 -1.862 . . . . 10.0 114.803 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -69.44 -24.9 63.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.805 2.548 . . . . 10.0 109.672 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.8 mttt -77.86 -37.59 47.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.186 1.394 . . . . 10.0 111.395 170.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.2 m -70.98 -35.5 72.13 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.024 1.393 . . . . 10.0 114.103 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.0 m -62.7 -28.7 70.13 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 130.02 3.328 . . . . 10.0 108.626 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -53.3 46.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.102 -1.039 . . . . 10.0 110.614 167.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.81 -26.09 63.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.999 1.32 . . . . 10.0 113.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -72.58 -45.72 57.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.867 2.467 . . . . 10.0 113.414 169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.2 -41.43 81.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.904 1.335 . . . . 10.0 111.733 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.6 -28.02 69.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 128.466 2.706 . . . . 10.0 111.728 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.22 65.48 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.3 1.04 . . . . 10.0 111.494 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.78 75.82 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 119.912 1.233 . . . . 10.0 109.228 168.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.47 -39.8 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 120.901 1.682 . . . . 10.0 110.712 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.8 t -67.97 -38.17 82.41 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.988 1.267 . . . . 10.0 113.847 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.1 m -55.2 -55.2 33.97 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.355 1.462 . . . . 10.0 110.545 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.56 -43.85 97.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 129.262 3.025 . . . . 10.0 111.212 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.38 -43.22 73.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.01 1.724 . . . . 10.0 110.809 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.1 m -57.76 -49.45 76.56 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.756 0.822 . . . . 10.0 110.244 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.01 -60.21 3.57 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-O 116.871 -1.537 . . . . 10.0 109.174 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.428 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.82 -27.64 69.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 120.781 1.628 . . . . 10.0 114.421 -171.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.37 -50.2 51.81 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.788 1.631 . . . . 10.0 110.715 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -31.74 72.96 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.05 -52.64 9.76 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.225 3.41 . . . . 10.0 109.859 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HE2' HD12 ' A' ' 91' ' ' LEU . 45.9 mttm -61.89 -29.14 70.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.095 0.958 . . . . 10.0 110.839 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -36.77 61.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 117.162 -1.399 . . . . 10.0 113.07 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -56.33 -45.03 80.54 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.592 1.542 . . . . 10.0 107.76 168.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -58.93 -51.66 69.09 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 117.273 -1.346 . . . . 10.0 112.543 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.58 52.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.473 1.942 . . . . 10.0 114.31 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.75 -45.93 16.25 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.454 1.101 . . . . 10.0 113.649 168.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.0 -53.48 52.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.231 2.612 . . . . 10.0 112.629 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.442 -0.849 0 C-N-CA 126.919 2.088 . . . . 10.0 107.786 -169.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 118.231 -0.89 . . . . 10.0 111.811 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.21 -51.2 70.76 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.608 1.549 . . . . 10.0 109.547 169.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.24 -29.07 68.61 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 120.077 -0.649 . . . . 10.0 111.384 -169.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -71.72 -47.12 56.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.606 2.762 . . . . 10.0 113.902 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -36.35 31.07 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.609 1.163 . . . . 10.0 113.399 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -26.15 67.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.803 1.641 . . . . 10.0 110.486 170.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -79.74 -36.4 37.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.759 1.224 . . . . 10.0 111.269 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -62.05 -41.83 98.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.8 0.84 . . . . 10.0 111.557 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.17 -56.2 4.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 125.911 1.684 . . . . 10.0 107.734 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -66.79 -40.39 88.11 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.282 1.033 . . . . 10.0 112.44 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.73 60.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.714 1.143 . . . . 10.0 112.352 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.297 2.1 t60 -70.06 -20.6 63.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.601 1.16 . . . . 10.0 111.041 169.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.71 -43.2 38.45 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 120.285 -1.509 . . . . 10.0 109.761 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.46 -39.24 91.77 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.339 1.427 . . . . 10.0 111.123 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.56 -24.62 67.66 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.96 -1.088 . . . . 10.0 110.258 168.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.76 -41.4 37.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.589 -1.196 . . . . 10.0 113.335 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -61.46 -40.91 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.844 1.657 . . . . 10.0 110.042 169.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -66.28 -42.14 88.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 116.419 -1.753 . . . . 10.0 108.693 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.98 -34.56 74.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 121.86 2.118 . . . . 10.0 111.546 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -46.07 90.65 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 118.623 0.647 . . . . 10.0 110.434 169.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.28 -34.74 79.07 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.736 2.014 . . . . 10.0 112.924 177.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -71.83 -39.32 69.87 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.35 1.46 . . . . 10.0 109.371 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.453 0.0 OUTLIER -68.89 -35.47 76.9 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 118.447 -0.787 . . . . 10.0 111.631 172.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.4 74.01 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.604 -1.935 . . . . 10.0 113.207 169.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.81 -25.31 61.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.853 1.261 . . . . 10.0 112.39 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 -30.69 38.58 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.768 -1.207 . . . . 10.0 111.718 169.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.64 -39.55 88.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.18 -1.575 . . . . 10.0 109.215 168.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -60.13 -21.55 61.73 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.635 1.174 . . . . 10.0 111.974 169.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.24 15.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.2 1.556 . . . . 10.0 115.2 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.336 2.9 p -65.27 -19.57 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.033 -1.042 . . . . 10.0 111.449 169.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.92 -47.9 78.71 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.408 -1.432 . . . . 10.0 111.34 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -88.42 -37.39 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.298 1.439 . . . . 10.0 113.844 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.22 78.02 6.61 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.526 0.73 . . . . 10.0 111.374 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.6 Cg_endo -61.39 53.84 0.1 Allowed 'Trans proline' 0 CA--C 1.546 1.094 1 C-N-CA 126.942 5.095 . . . . 10.0 117.581 -176.276 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.421 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.3 m-20 -74.48 148.72 40.77 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.343 -1.473 . . . . 10.0 108.487 167.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 80.0 m-20 -57.56 -23.4 50.35 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.05 -41.32 87.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 CA-C-O 116.104 -1.903 . . . . 10.0 114.443 169.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.39 -26.0 64.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.857 2.571 . . . . 10.0 109.729 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -76.5 -36.15 57.96 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.469 1.508 . . . . 10.0 111.809 169.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 m -73.74 -35.27 65.03 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 122.993 1.378 . . . . 10.0 114.036 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.3 m -62.44 -28.91 70.13 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 130.3 3.44 . . . . 10.0 108.314 168.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -53.59 44.47 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.166 -1.014 . . . . 10.0 110.812 167.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -59.18 -24.97 63.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.109 1.364 . . . . 10.0 113.076 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -73.92 -45.49 50.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.021 2.528 . . . . 10.0 113.492 169.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.19 -41.52 81.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.745 1.259 . . . . 10.0 111.667 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -63.91 -26.66 68.7 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.548 2.739 . . . . 10.0 111.69 169.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.22 65.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.111 0.964 . . . . 10.0 111.243 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.7 83.64 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 120.554 1.524 . . . . 10.0 109.586 168.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.1 t -51.32 -39.16 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 120.832 1.651 . . . . 10.0 110.397 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -69.03 -36.94 78.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.292 1.405 . . . . 10.0 113.747 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -55.89 -54.6 42.71 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.042 1.337 . . . . 10.0 110.248 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.23 -42.37 99.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.081 2.952 . . . . 10.0 111.161 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.23 -41.85 66.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.192 1.797 . . . . 10.0 111.01 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -47.95 81.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.674 0.789 . . . . 10.0 110.112 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.19 -60.36 3.5 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 116.45 -1.738 . . . . 10.0 109.149 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD11 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.84 -28.38 69.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 121.973 2.169 . . . . 10.0 114.361 -172.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.92 -51.36 51.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 120.595 1.543 . . . . 10.0 110.77 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.68 80.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.897 1.348 . . . . 10.0 113.628 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.13 -51.9 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 129.889 3.276 . . . . 10.0 109.794 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HE3' HD11 ' A' ' 91' ' ' LEU . 74.0 mttt -63.86 -30.19 71.3 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.128 0.971 . . . . 10.0 110.689 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -36.58 63.96 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 117.394 -1.289 . . . . 10.0 112.865 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -56.32 -45.1 80.46 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 120.276 1.398 . . . . 10.0 107.76 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.76 -51.22 70.45 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 117.412 -1.28 . . . . 10.0 112.47 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.37 58.58 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 121.463 1.938 . . . . 10.0 114.758 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.43 -43.89 20.21 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.429 1.013 . . . . 10.0 113.544 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.32 -53.17 59.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.144 2.578 . . . . 10.0 112.714 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.442 -0.848 0 C-N-CA 126.989 2.116 . . . . 10.0 107.849 -169.593 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.34 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -56.24 -49.83 73.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.833 1.651 . . . . 10.0 110.266 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -65.84 -32.88 74.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 120.375 -0.53 . . . . 10.0 111.53 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.48 -46.86 58.74 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.266 2.226 . . . . 10.0 112.938 169.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -35.54 34.88 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 119.689 1.132 . . . . 10.0 113.178 -171.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.97 -28.63 68.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.98 1.312 . . . . 10.0 110.482 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.89 -39.03 61.71 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.783 1.233 . . . . 10.0 111.153 168.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.22 -42.94 99.48 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.571 1.149 . . . . 10.0 111.407 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.84 -57.41 2.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 125.774 1.629 . . . . 10.0 108.494 169.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -36.03 78.34 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.42 0.688 . . . . 10.0 112.429 -173.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -39.79 48.08 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 120.738 -1.226 . . . . 10.0 112.456 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.292 2.1 t60 -70.26 -21.8 62.94 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.993 1.317 . . . . 10.0 110.622 169.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 -44.13 41.78 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.203 -1.561 . . . . 10.0 109.863 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.71 -38.92 90.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.507 1.503 . . . . 10.0 111.301 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.18 -26.07 68.36 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.346 -0.846 . . . . 10.0 110.283 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.6 tp -74.2 -48.13 31.0 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.156 -0.926 . . . . 10.0 112.853 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -59.34 -38.54 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 120.983 1.72 . . . . 10.0 110.297 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -67.45 -39.73 85.38 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 115.984 -1.96 . . . . 10.0 110.182 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.49 81.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.514 1.961 . . . . 10.0 111.317 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -49.04 76.66 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.71 0.686 . . . . 10.0 109.778 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -33.97 70.72 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.144 1.778 . . . . 10.0 112.543 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -75.24 -42.04 56.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 128.275 2.63 . . . . 10.0 110.968 177.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.441 0.0 OUTLIER -66.52 -33.53 75.89 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.501 -0.761 . . . . 10.0 111.097 170.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -67.87 -34.38 76.57 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 119.722 -1.861 . . . . 10.0 113.493 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.87 -24.34 65.23 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.679 1.127 . . . . 10.0 111.947 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.61 -30.2 36.79 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.505 -1.372 . . . . 10.0 111.748 168.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.57 -37.97 86.07 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.136 -1.603 . . . . 10.0 109.509 169.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 15.2 tptt -57.22 -36.61 71.1 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.3 1.04 . . . . 10.0 110.395 169.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.51 75.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.317 3.4 p -76.13 -21.57 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 O-C-N 121.435 -0.791 . . . . 10.0 112.497 169.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.78 -37.41 87.53 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.932 -1.73 . . . . 10.0 111.83 168.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.7 p -111.2 -24.51 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 117.386 2.365 . . . . 10.0 117.386 -166.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -150.75 71.63 8.84 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.435 0.694 . . . . 10.0 112.194 169.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.277 4.6 Cg_endo -59.83 53.09 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 1 C-N-CA 127.376 5.384 . . . . 10.0 118.972 -173.189 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.99 150.58 38.94 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 119.834 -1.791 . . . . 10.0 108.93 167.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 31.2 t70 -56.41 -25.77 51.2 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.096 0.95 . . . . 10.0 113.082 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -40.92 88.18 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 CA-C-O 116.148 -1.882 . . . . 10.0 114.521 169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -68.83 -24.46 64.38 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 122.813 2.551 . . . . 10.0 109.919 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.9 mttt -79.71 -29.9 40.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.661 1.584 . . . . 10.0 112.334 171.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -80.08 -35.8 36.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 123.17 1.462 . . . . 10.0 113.972 172.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.0 m -61.36 -28.84 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.06 3.344 . . . . 10.0 108.108 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -53.76 47.63 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.082 -1.047 . . . . 10.0 111.156 168.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -59.81 -25.84 65.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.708 1.603 . . . . 10.0 112.61 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -72.81 -46.0 55.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.999 2.519 . . . . 10.0 113.171 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.34 -40.99 81.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.894 1.331 . . . . 10.0 111.988 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.92 -29.27 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 128.343 2.657 . . . . 10.0 111.705 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.34 -32.23 66.33 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.305 1.042 . . . . 10.0 111.402 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.09 -48.15 71.91 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.975 1.261 . . . . 10.0 109.284 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.61 -40.16 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 121.138 1.79 . . . . 10.0 110.482 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -67.79 -37.69 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.182 1.355 . . . . 10.0 113.973 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.5 m -55.71 -55.51 31.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.354 1.462 . . . . 10.0 110.548 169.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.51 -43.13 99.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 129.323 3.049 . . . . 10.0 111.202 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.56 -42.71 70.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.178 1.791 . . . . 10.0 110.814 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -57.9 -48.98 78.29 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.749 0.82 . . . . 10.0 110.12 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.31 -60.34 3.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.018 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.427 HD13 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.33 -29.03 70.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.602 2.001 . . . . 10.0 114.573 -171.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.01 -51.06 54.58 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 120.776 1.625 . . . . 10.0 111.086 169.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -33.07 74.46 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.458 1.129 . . . . 10.0 113.69 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.29 -51.95 15.72 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 129.874 3.27 . . . . 10.0 109.912 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HE3' HD13 ' A' ' 91' ' ' LEU . 72.6 mttt -62.29 -30.94 71.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.071 . . . . 10.0 110.732 174.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -35.85 63.38 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 117.485 -1.245 . . . . 10.0 113.147 169.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.32 -44.61 84.33 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.586 1.539 . . . . 10.0 107.788 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.74 -51.84 67.9 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.637 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.29 -24.76 57.03 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.455 1.934 . . . . 10.0 114.446 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -80.53 -44.8 18.49 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.589 1.086 . . . . 10.0 113.732 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.84 -53.25 57.8 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.247 2.619 . . . . 10.0 112.84 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.442 -0.859 0 C-N-CA 126.752 2.021 . . . . 10.0 107.905 -169.525 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 118.102 -0.952 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.31 -52.94 62.68 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.217 1.371 . . . . 10.0 109.162 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.97 -36.17 79.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.688 -0.805 . . . . 10.0 111.389 -170.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -62.65 -43.71 98.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.046 2.138 . . . . 10.0 113.648 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.81 -36.31 31.86 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 121.141 -0.974 . . . . 10.0 112.757 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -24.55 65.17 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.136 2.175 . . . . 10.0 110.112 170.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.19 -39.48 29.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.512 1.525 . . . . 10.0 110.76 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.05 -41.95 93.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.355 1.062 . . . . 10.0 111.439 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -57.99 2.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 125.517 1.527 . . . . 10.0 108.24 169.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -36.63 79.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.956 0.502 . . . . 10.0 112.22 -172.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.97 52.96 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.587 1.085 . . . . 10.0 112.336 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.316 2.1 t60 -69.84 -20.33 63.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.45 1.1 . . . . 10.0 110.948 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.79 -44.13 33.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.191 -1.568 . . . . 10.0 109.484 168.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.26 -37.15 84.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.952 1.705 . . . . 10.0 111.503 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -65.45 -25.62 67.59 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.158 -0.964 . . . . 10.0 110.128 168.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 tp -76.6 -43.44 38.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.11 0.868 . . . . 10.0 113.154 173.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.86 -38.83 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 CA-C-N 120.514 1.506 . . . . 10.0 110.501 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.0 m -68.29 -34.09 75.52 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 116.097 -1.906 . . . . 10.0 110.289 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.47 81.22 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.508 1.958 . . . . 10.0 110.987 169.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.67 -44.77 92.77 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.108 0.867 . . . . 10.0 110.664 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -31.75 72.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.19 2.196 . . . . 10.0 112.549 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -73.59 -40.91 63.52 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.784 2.033 . . . . 10.0 110.025 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.3 OUTLIER -65.99 -35.66 81.19 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 118.676 -0.678 . . . . 10.0 111.571 170.338 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.73 72.96 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.755 -1.841 . . . . 10.0 112.542 171.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.78 -23.37 62.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.182 0.993 . . . . 10.0 112.29 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 -33.11 38.99 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.551 -1.343 . . . . 10.0 112.029 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.5 -38.27 86.87 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.303 -1.498 . . . . 10.0 109.812 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HE3' HG11 ' A' ' 67' ' ' VAL . 9.9 tptt -60.52 -20.88 61.62 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 124.745 1.218 . . . . 10.0 112.258 169.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.15 13.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.34 3.4 p -65.23 -19.61 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.955 -1.091 . . . . 10.0 111.383 169.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.68 -48.0 78.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.668 1.587 . . . . 10.0 111.545 167.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG11 ' HE3' ' A' ' 63' ' ' LYS . 19.5 m -88.9 -37.67 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.531 1.532 . . . . 10.0 113.91 -169.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -152.34 78.34 6.43 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.471 0.708 . . . . 10.0 111.199 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 6.0 Cg_endo -61.13 55.17 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.032 1 C-N-CA 127.006 5.138 . . . . 10.0 117.433 -176.186 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -75.47 149.21 38.54 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 120.356 -1.465 . . . . 10.0 108.68 167.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.5 t70 -56.6 -25.25 52.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.24 -41.44 89.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 CA-C-O 116.193 -1.861 . . . . 10.0 114.695 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.2 -24.47 63.12 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 122.694 2.497 . . . . 10.0 109.558 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.7 mttt -77.98 -40.6 38.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.248 1.419 . . . . 10.0 111.047 170.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -33.2 74.72 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 122.91 1.338 . . . . 10.0 114.198 172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -65.97 -29.3 69.67 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 129.992 3.317 . . . . 10.0 108.866 169.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -51.53 57.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 118.701 -1.2 . . . . 10.0 109.583 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.81 -25.26 60.35 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.607 1.163 . . . . 10.0 113.815 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -76.33 -45.18 33.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.089 2.556 . . . . 10.0 113.73 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.44 -39.4 85.4 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.824 -1.173 . . . . 10.0 111.135 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.1 ttt-85 -62.76 -28.68 70.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.478 2.711 . . . . 10.0 111.935 169.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.55 68.33 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.247 -0.883 . . . . 10.0 111.505 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.92 76.18 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 120.518 1.508 . . . . 10.0 110.024 168.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.0 -38.83 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.631 1.56 . . . . 10.0 109.825 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 t -68.76 -38.28 79.98 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 120.534 1.515 . . . . 10.0 113.977 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.5 m -54.77 -55.25 32.08 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.138 1.375 . . . . 10.0 110.352 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -43.98 97.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.226 3.011 . . . . 10.0 111.066 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -70.71 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.318 1.847 . . . . 10.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 m -58.37 -49.84 75.81 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.789 0.722 . . . . 10.0 110.117 171.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -52.57 -60.02 3.75 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-O 116.486 -1.721 . . . . 10.0 109.088 173.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.7 -29.77 70.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 116.705 -1.617 . . . . 10.0 114.452 -171.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.98 73.2 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.713 1.597 . . . . 10.0 110.595 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -27.41 66.15 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -76.66 -49.16 16.85 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 127.941 2.496 . . . . 10.0 108.763 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -64.33 -31.32 72.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.297 1.039 . . . . 10.0 110.62 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -38.42 65.06 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.533 -1.222 . . . . 10.0 112.928 169.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.54 -48.29 69.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 106.93 -1.507 . . . . 10.0 106.93 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.04 -50.77 71.73 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 117.938 -1.03 . . . . 10.0 111.743 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.13 58.55 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.751 1.614 . . . . 10.0 114.882 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.13 -41.29 25.74 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.957 1.095 . . . . 10.0 113.957 170.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.36 -53.45 56.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.824 2.45 . . . . 10.0 112.097 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.442 -0.854 0 C-N-CA 127.137 2.175 . . . . 10.0 107.733 -169.698 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 117.973 -1.013 . . . . 10.0 112.385 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.64 -49.85 73.79 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.571 1.532 . . . . 10.0 110.334 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.15 -31.82 72.89 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.515 -169.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.59 -47.35 55.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.221 2.208 . . . . 10.0 112.963 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -36.52 33.45 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.562 1.074 . . . . 10.0 113.157 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -66.56 -25.78 66.81 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.494 1.518 . . . . 10.0 110.814 170.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -79.83 -37.64 34.63 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.387 1.075 . . . . 10.0 110.924 168.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.85 -42.65 94.09 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.685 1.194 . . . . 10.0 111.533 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -56.96 3.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 C-N-CA 125.835 1.654 . . . . 10.0 108.247 169.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -35.34 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.009 0.924 . . . . 10.0 112.676 -172.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.03 -39.03 51.63 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.841 -1.162 . . . . 10.0 112.151 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.379 3.1 t60 -72.37 -19.31 61.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.454 1.501 . . . . 10.0 111.512 169.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 -41.33 28.97 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 120.347 -1.471 . . . . 10.0 108.945 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.65 -40.23 95.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.28 1.4 . . . . 10.0 111.475 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.59 -22.98 67.11 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 120.943 -1.098 . . . . 10.0 110.503 168.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.68 -41.57 30.81 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 117.564 -1.207 . . . . 10.0 112.742 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -60.93 -41.91 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 120.627 1.558 . . . . 10.0 110.187 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 m -65.63 -42.16 91.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-O 116.695 -1.621 . . . . 10.0 108.526 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.23 76.52 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 121.592 1.996 . . . . 10.0 111.617 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -61.28 -45.56 93.97 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.701 0.682 . . . . 10.0 110.405 169.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.68 -33.47 75.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.836 2.055 . . . . 10.0 113.331 177.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -72.16 -38.89 69.05 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.202 1.401 . . . . 10.0 109.327 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.461 0.0 OUTLIER -69.29 -35.15 75.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.428 -0.796 . . . . 10.0 111.63 172.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -32.99 74.86 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 119.634 -1.916 . . . . 10.0 113.307 169.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.12 -25.35 62.55 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.756 1.223 . . . . 10.0 112.438 171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 -31.03 39.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.828 -1.17 . . . . 10.0 111.884 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.61 -39.73 88.48 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.175 -1.578 . . . . 10.0 109.44 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.8 tptt -59.93 -21.57 61.29 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 124.592 1.157 . . . . 10.0 112.155 169.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 -46.6 14.8 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.263 1.579 . . . . 10.0 115.263 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.332 2.9 p -64.94 -19.66 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 121.001 -1.062 . . . . 10.0 111.346 169.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.97 -48.89 74.66 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.364 -1.46 . . . . 10.0 111.382 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.403 HG13 ' HE3' ' A' ' 63' ' ' LYS . 19.0 m -87.02 -37.89 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.279 1.432 . . . . 10.0 113.972 -169.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.19 78.51 6.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.453 0.701 . . . . 10.0 111.045 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.268 5.8 Cg_endo -60.58 54.75 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 1 C-N-CA 127.005 5.136 . . . . 10.0 117.522 -176.599 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.421 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.3 m-20 -74.21 147.7 42.25 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 120.292 -1.505 . . . . 10.0 108.602 167.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.79 -24.03 55.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.051 0.759 . . . . 10.0 113.051 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.04 -40.85 86.37 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.229 0 CA-C-O 116.198 -1.858 . . . . 10.0 114.354 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -69.03 -25.99 64.76 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 122.854 2.57 . . . . 10.0 109.682 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.0 mttt -76.98 -36.77 56.21 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.628 1.571 . . . . 10.0 111.706 170.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -72.88 -35.19 67.09 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 122.986 1.374 . . . . 10.0 114.013 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 m -62.77 -28.88 70.29 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 130.243 3.417 . . . . 10.0 108.464 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -53.51 45.62 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 119.003 -1.079 . . . . 10.0 110.64 167.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -58.62 -26.87 64.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.935 1.294 . . . . 10.0 113.107 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -72.22 -45.55 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.983 2.513 . . . . 10.0 113.455 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.29 -40.76 81.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.657 1.218 . . . . 10.0 111.816 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -64.11 -27.37 69.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.516 2.726 . . . . 10.0 111.745 169.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.75 63.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.555 1.142 . . . . 10.0 111.619 169.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.21 75.36 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 120.178 1.354 . . . . 10.0 108.981 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.77 -39.51 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 120.844 1.656 . . . . 10.0 110.578 172.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -67.86 -36.71 80.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.228 1.376 . . . . 10.0 113.95 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -56.87 -55.09 38.93 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.125 1.37 . . . . 10.0 110.443 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.0 -42.14 98.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 129.029 2.932 . . . . 10.0 110.763 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.55 -43.07 70.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.151 1.78 . . . . 10.0 111.069 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 m -58.25 -49.17 78.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.942 0.897 . . . . 10.0 110.178 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.65 -60.26 3.54 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 117.058 -1.448 . . . . 10.0 108.913 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.16 -27.37 69.33 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 121.532 1.969 . . . . 10.0 114.752 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.55 -50.06 51.79 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 121.027 1.739 . . . . 10.0 111.013 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -34.13 76.97 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.125 0.963 . . . . 10.0 113.571 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.66 -53.3 12.15 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 130.852 3.661 . . . . 10.0 110.312 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 91' ' ' LEU . 41.0 mttm -60.98 -28.77 69.25 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.069 0.948 . . . . 10.0 110.502 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -38.07 59.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.362 1.465 . . . . 10.0 113.447 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -55.7 -43.52 76.53 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 120.562 1.528 . . . . 10.0 107.84 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.58 -52.6 64.99 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.407 -1.282 . . . . 10.0 113.013 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.29 -25.1 47.22 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 121.387 1.903 . . . . 10.0 114.309 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.58 -45.16 17.81 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.538 1.135 . . . . 10.0 113.694 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.31 -53.11 58.28 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.168 2.587 . . . . 10.0 112.725 174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.441 -0.885 0 C-N-CA 126.849 2.059 . . . . 10.0 107.78 -169.576 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 118.131 -0.937 . . . . 10.0 112.482 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.65 -49.71 75.58 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.816 1.644 . . . . 10.0 110.293 169.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.84 -28.21 68.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 120.314 -0.554 . . . . 10.0 111.726 -169.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -74.53 -47.72 31.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.96 2.904 . . . . 10.0 113.452 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.72 -37.11 27.83 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -174.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.08 67.64 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.077 1.351 . . . . 10.0 110.486 170.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.16 -38.4 36.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.595 1.158 . . . . 10.0 111.102 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -59.62 -42.62 93.09 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.702 0.801 . . . . 10.0 111.698 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.26 -57.25 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 C-N-CA 125.64 1.576 . . . . 10.0 108.751 169.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.98 -40.94 87.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.099 0.959 . . . . 10.0 112.025 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -36.8 63.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.411 1.005 . . . . 10.0 112.606 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.308 1.9 t60 -73.68 -20.31 60.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.391 1.476 . . . . 10.0 110.86 170.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.93 -42.74 32.04 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.201 -1.562 . . . . 10.0 109.906 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.48 -39.51 88.8 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 120.129 1.331 . . . . 10.0 111.035 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.88 -24.6 67.8 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.037 -1.039 . . . . 10.0 110.228 168.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.9 tp -77.23 -42.92 35.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.677 -1.154 . . . . 10.0 113.674 173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.88 -42.51 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.649 1.568 . . . . 10.0 110.346 170.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.6 m -66.8 -37.46 84.58 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 116.558 -1.687 . . . . 10.0 109.35 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.15 79.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 121.215 1.825 . . . . 10.0 111.154 172.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -63.48 -45.99 88.21 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.24 0.927 . . . . 10.0 110.365 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -28.3 69.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.192 2.197 . . . . 10.0 113.077 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -40.7 26.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.934 2.093 . . . . 10.0 109.952 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.347 0.3 OUTLIER -65.7 -34.76 78.96 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.716 -0.659 . . . . 10.0 111.219 169.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.64 72.72 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 119.732 -1.855 . . . . 10.0 112.645 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.43 -23.13 61.79 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.325 1.05 . . . . 10.0 112.057 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.32 -32.81 37.86 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.412 -1.43 . . . . 10.0 112.202 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.8 -37.43 82.0 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.463 -1.398 . . . . 10.0 109.966 169.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 16.6 tptt -56.79 -37.8 71.65 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.749 0.819 . . . . 10.0 110.363 169.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.22 75.41 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.31 4.2 p -77.25 -21.74 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-N 118.896 0.771 . . . . 10.0 112.488 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.48 -38.84 92.42 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 120.135 -1.603 . . . . 10.0 111.602 168.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.8 p -109.63 -24.58 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 117.329 2.344 . . . . 10.0 117.329 -166.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -151.29 72.56 8.42 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.386 0.674 . . . . 10.0 111.947 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 3.3 Cg_endo -58.72 49.85 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.118 1 C-N-CA 127.566 5.511 . . . . 10.0 119.114 -173.773 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.405 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 82.9 m-20 -72.79 149.16 43.88 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 119.81 -1.806 . . . . 10.0 108.744 167.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.3 m-20 -56.95 -26.32 59.42 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.754 0.649 . . . . 10.0 112.754 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.0 -40.75 90.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.159 0 CA-C-O 116.377 -1.773 . . . . 10.0 114.7 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.17 -24.41 64.06 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 122.531 2.423 . . . . 10.0 109.922 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.3 mttt -76.76 -43.36 37.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.613 1.565 . . . . 10.0 111.183 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.05 -33.86 76.75 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -64.58 -30.1 71.13 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 129.586 3.155 . . . . 10.0 109.177 169.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.18 -51.47 60.87 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 118.29 -1.364 . . . . 10.0 109.774 167.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -57.8 -26.74 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.544 1.138 . . . . 10.0 113.604 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -75.22 -44.49 46.02 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.965 2.506 . . . . 10.0 113.726 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -68.71 -38.63 80.38 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.819 -1.176 . . . . 10.0 111.618 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -62.81 -31.0 71.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.077 2.551 . . . . 10.0 111.705 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.42 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.012 0.925 . . . . 10.0 111.843 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.83 61.35 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 120.084 1.311 . . . . 10.0 109.615 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -51.39 -38.09 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 120.955 1.707 . . . . 10.0 110.3 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -68.93 -39.05 79.81 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.922 1.237 . . . . 10.0 114.005 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -55.19 32.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.337 1.455 . . . . 10.0 110.57 169.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.11 -43.37 98.98 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.424 3.09 . . . . 10.0 111.159 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.41 -43.39 70.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.894 1.678 . . . . 10.0 110.823 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.1 m -56.93 -49.88 74.29 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.105 0.962 . . . . 10.0 109.828 171.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.3 -60.51 3.21 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.541 -1.695 . . . . 10.0 108.9 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.424 HD11 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.414 1.916 . . . . 10.0 114.935 -170.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.76 -50.71 52.03 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.548 1.522 . . . . 10.0 110.641 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -33.96 75.17 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.097 0.948 . . . . 10.0 113.432 175.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.88 -52.98 12.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 130.611 3.564 . . . . 10.0 109.983 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 91' ' ' LEU . 44.4 mttm -61.53 -30.33 70.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.128 0.971 . . . . 10.0 110.571 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -34.53 60.51 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.917 1.287 . . . . 10.0 113.338 168.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.72 -43.34 85.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 120.501 1.5 . . . . 10.0 107.53 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.82 -52.16 66.89 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 117.289 -1.339 . . . . 10.0 113.114 172.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.28 -24.86 57.65 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 121.428 1.922 . . . . 10.0 114.236 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.49 -44.08 19.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.471 1.109 . . . . 10.0 113.674 169.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -52.82 62.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.223 2.609 . . . . 10.0 112.766 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.443 -0.82 0 C-N-CA 126.647 1.979 . . . . 10.0 107.826 -169.537 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 118.046 -0.978 . . . . 10.0 111.761 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.25 -51.52 69.02 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.621 1.555 . . . . 10.0 109.505 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.05 -25.66 65.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 120.55 -0.46 . . . . 10.0 112.178 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -78.84 -42.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.75 2.82 . . . . 10.0 114.009 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -36.89 30.34 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.913 -1.117 . . . . 10.0 112.941 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -24.46 66.61 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.672 1.589 . . . . 10.0 110.676 169.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.02 -39.59 29.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.362 1.465 . . . . 10.0 111.154 169.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.54 -42.34 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 10.0 111.84 171.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -57.19 2.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 C-N-CA 125.6 1.56 . . . . 10.0 108.551 169.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.04 80.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.056 0.542 . . . . 10.0 111.927 -172.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -43.84 61.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.608 1.094 . . . . 10.0 112.26 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.324 2.0 t60 -68.18 -20.0 64.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.81 1.244 . . . . 10.0 111.44 170.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -78.09 -42.88 30.72 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 120.179 -1.576 . . . . 10.0 109.749 168.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -66.13 -37.91 86.86 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.677 1.581 . . . . 10.0 111.238 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.12 -24.01 67.3 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -0.969 . . . . 10.0 110.147 168.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -79.65 -42.92 23.81 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 117.708 -1.139 . . . . 10.0 113.51 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 m -60.2 -41.89 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 120.586 1.539 . . . . 10.0 109.997 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.9 m -69.03 -34.5 75.32 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 116.047 -1.93 . . . . 10.0 110.339 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.05 79.55 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.54 1.973 . . . . 10.0 111.189 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.09 -45.92 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.211 0.914 . . . . 10.0 110.546 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.87 -29.7 70.66 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.408 2.283 . . . . 10.0 112.893 178.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -76.96 -42.26 39.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 127.097 2.159 . . . . 10.0 110.127 174.105 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -65.02 -33.54 76.29 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 118.607 -0.711 . . . . 10.0 111.561 171.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -30.93 71.38 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 119.859 -1.776 . . . . 10.0 112.854 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.99 -22.72 60.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.342 1.057 . . . . 10.0 111.858 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.22 -32.54 38.47 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.364 -1.46 . . . . 10.0 111.69 168.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.91 -37.1 81.27 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.511 -1.368 . . . . 10.0 110.017 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 18.5 tptt -57.19 -37.62 72.43 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.492 0.717 . . . . 10.0 110.393 169.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.07 75.23 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -77.36 -21.85 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.943 0.792 . . . . 10.0 112.456 169.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.16 -38.24 90.34 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.098 -1.626 . . . . 10.0 111.472 168.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.9 p -109.65 -24.72 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -166.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -151.29 72.96 8.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.314 0.645 . . . . 10.0 111.859 169.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.3 Cg_endo -59.64 50.03 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.142 1 C-N-CA 127.382 5.388 . . . . 10.0 118.974 -173.84 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 80.1 m-20 -73.48 149.87 42.02 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 119.943 -1.723 . . . . 10.0 108.643 167.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 77.4 m-20 -57.66 -23.03 49.22 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.56 -41.08 87.83 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 CA-C-O 116.185 -1.864 . . . . 10.0 114.376 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -69.99 -25.2 63.49 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 122.753 2.524 . . . . 10.0 109.968 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -76.06 -41.65 49.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.61 1.564 . . . . 10.0 111.056 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -67.84 -32.81 73.59 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 122.844 1.306 . . . . 10.0 114.364 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.3 m -66.54 -29.5 69.6 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 130.087 3.355 . . . . 10.0 108.963 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.86 -51.15 61.3 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 118.405 -1.318 . . . . 10.0 109.401 167.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.91 -26.26 61.94 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.485 1.114 . . . . 10.0 113.728 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -75.44 -45.25 39.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.859 2.463 . . . . 10.0 113.767 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.92 -39.22 83.56 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.898 -1.126 . . . . 10.0 111.375 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -62.88 -30.38 71.48 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 128.379 2.671 . . . . 10.0 111.845 169.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.41 69.14 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.008 0.923 . . . . 10.0 111.678 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.62 65.26 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.932 1.242 . . . . 10.0 109.378 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.7 -38.26 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 121.019 1.736 . . . . 10.0 110.307 173.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -69.2 -37.83 78.29 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 120.069 1.304 . . . . 10.0 113.975 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.4 m -55.88 -54.96 38.32 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.398 1.479 . . . . 10.0 110.312 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.91 -42.77 99.9 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 129.456 3.102 . . . . 10.0 111.197 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.34 -42.37 68.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.886 1.674 . . . . 10.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -57.65 -48.64 78.92 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.64 0.776 . . . . 10.0 110.029 171.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.81 -60.41 3.4 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 116.725 -1.607 . . . . 10.0 109.158 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.75 -26.79 68.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 121.684 2.038 . . . . 10.0 114.332 -171.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.66 -51.66 39.89 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.517 1.508 . . . . 10.0 110.585 168.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -34.11 75.03 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.712 1.256 . . . . 10.0 113.492 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.02 -53.5 10.99 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 130.133 3.373 . . . . 10.0 110.013 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HE2' HD13 ' A' ' 91' ' ' LEU . 42.2 mttm -61.92 -28.79 69.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.036 0.934 . . . . 10.0 110.638 174.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -34.16 58.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.703 1.601 . . . . 10.0 113.863 169.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -59.46 -44.59 92.97 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 120.419 1.463 . . . . 10.0 107.063 168.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.68 -52.04 67.08 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.429 171.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.1 -24.48 54.31 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.444 1.929 . . . . 10.0 114.333 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -80.68 -45.83 16.54 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.455 1.102 . . . . 10.0 113.613 169.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.03 -52.94 59.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.346 2.658 . . . . 10.0 112.529 174.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.442 -0.839 0 C-N-CA 126.822 2.049 . . . . 10.0 107.878 -169.611 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 118.017 -0.992 . . . . 10.0 112.079 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.81 -51.19 70.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.9 1.682 . . . . 10.0 109.645 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.58 -30.36 70.64 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 120.306 -0.557 . . . . 10.0 111.369 -169.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -71.61 -46.59 58.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.645 2.778 . . . . 10.0 114.11 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -36.82 29.56 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 124.855 1.262 . . . . 10.0 113.756 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -26.13 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.418 1.487 . . . . 10.0 110.573 170.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.5 -38.49 34.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 10.0 110.891 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -39.04 87.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.177 -0.952 . . . . 10.0 112.036 172.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -57.16 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 125.69 1.596 . . . . 10.0 107.788 169.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -35.58 79.35 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.519 1.128 . . . . 10.0 112.691 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.08 36.23 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 120.614 -1.304 . . . . 10.0 112.605 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.305 2.2 t60 -73.63 -20.4 60.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.255 1.022 . . . . 10.0 110.447 169.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.87 -42.68 38.93 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 120.388 -1.445 . . . . 10.0 109.582 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.03 -39.71 90.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 120.016 1.28 . . . . 10.0 111.093 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -63.73 -24.31 67.72 Favored 'General case' 0 C--O 1.225 -0.21 0 O-C-N 121.204 -0.935 . . . . 10.0 110.247 168.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.3 tp -78.06 -43.01 30.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.675 -1.155 . . . . 10.0 113.732 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.68 -42.42 91.87 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 120.775 1.625 . . . . 10.0 110.293 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -67.44 -35.47 79.3 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 116.371 -1.776 . . . . 10.0 109.668 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.47 81.25 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.38 1.9 . . . . 10.0 111.122 171.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -63.57 -45.14 91.8 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.171 0.896 . . . . 10.0 110.499 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -29.4 70.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.101 2.161 . . . . 10.0 112.691 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -39.83 37.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.839 2.056 . . . . 10.0 109.586 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.8 -37.1 85.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.935 -0.555 . . . . 10.0 110.851 169.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -65.38 -32.29 73.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 119.589 -1.944 . . . . 10.0 112.633 171.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.51 -22.78 62.6 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.595 1.158 . . . . 10.0 112.399 169.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -33.34 37.4 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.535 -1.353 . . . . 10.0 112.204 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -66.18 -39.47 89.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.378 -1.451 . . . . 10.0 109.509 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -61.1 -19.86 61.95 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.195 1.398 . . . . 10.0 112.257 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.79 13.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 171.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.347 3.5 p -65.36 -19.51 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 120.895 -1.128 . . . . 10.0 111.402 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.6 -48.94 75.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.282 1.433 . . . . 10.0 111.163 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 m -87.76 -37.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.422 1.489 . . . . 10.0 113.888 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.01 76.51 7.19 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.518 0.727 . . . . 10.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.8 Cg_endo -61.66 54.78 0.11 Allowed 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.914 5.076 . . . . 10.0 117.664 -175.311 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -75.44 150.44 38.27 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 120.342 -1.474 . . . . 10.0 108.441 167.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.7 t70 -55.72 -27.48 50.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.701 0.762 . . . . 10.0 112.808 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.09 -42.26 95.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 CA-C-O 116.195 -1.859 . . . . 10.0 114.661 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -69.26 -23.42 63.85 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 122.826 2.557 . . . . 10.0 109.785 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 12.3 mttt -79.31 -39.64 32.35 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.224 1.41 . . . . 10.0 111.293 171.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 t -69.34 -31.86 70.57 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.464 -1.398 . . . . 10.0 114.095 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -65.29 -30.65 71.54 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 129.344 3.058 . . . . 10.0 108.156 168.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -52.47 47.15 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 118.675 -1.21 . . . . 10.0 109.8 167.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -56.53 -24.93 50.08 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.177 1.391 . . . . 10.0 113.892 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 129.527 3.131 . . . . 10.0 114.062 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -66.45 -39.39 88.83 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.842 -1.161 . . . . 10.0 111.22 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -62.11 -31.37 71.82 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.308 2.643 . . . . 10.0 111.861 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.01 70.37 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 118.211 -0.899 . . . . 10.0 111.746 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.94 76.85 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 120.679 1.581 . . . . 10.0 110.32 168.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.44 -37.46 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.75 1.614 . . . . 10.0 110.064 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -69.25 -39.21 78.62 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.047 1.294 . . . . 10.0 114.167 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 m -54.13 -54.96 32.47 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.311 1.444 . . . . 10.0 110.642 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.47 -43.85 97.82 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 129.273 3.029 . . . . 10.0 111.106 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.58 -42.69 74.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.471 1.509 . . . . 10.0 110.803 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.4 m -57.69 -49.3 76.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.069 0.948 . . . . 10.0 110.198 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -53.25 -60.31 3.46 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 116.643 -1.646 . . . . 10.0 108.841 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.02 -29.84 71.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 121.375 1.898 . . . . 10.0 114.621 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.27 60.28 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.883 1.674 . . . . 10.0 111.133 169.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.87 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 117.976 0.888 . . . . 10.0 113.337 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.1 -51.75 20.04 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 130.422 3.489 . . . . 10.0 110.214 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -61.51 -30.33 70.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.45 1.1 . . . . 10.0 110.352 173.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -34.93 61.88 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.156 1.382 . . . . 10.0 113.577 169.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -58.61 -43.33 89.59 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 120.408 1.458 . . . . 10.0 107.67 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.56 -52.33 66.1 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 117.27 -1.348 . . . . 10.0 112.709 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 121.563 1.983 . . . . 10.0 114.238 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -45.01 17.94 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.49 1.116 . . . . 10.0 113.598 168.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.62 -52.96 60.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.11 2.564 . . . . 10.0 112.548 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.441 -0.881 0 C-N-CA 126.727 2.011 . . . . 10.0 107.865 -169.524 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 117.947 -1.025 . . . . 10.0 111.765 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.82 -51.45 68.91 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.54 1.518 . . . . 10.0 109.813 169.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.65 -34.31 77.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.145 -170.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.33 -46.64 72.86 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.363 2.265 . . . . 10.0 112.988 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -36.61 33.99 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 119.699 1.136 . . . . 10.0 112.583 -172.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -65.85 -26.74 67.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.831 1.653 . . . . 10.0 110.757 170.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.0 -38.09 37.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.068 1.347 . . . . 10.0 111.462 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.51 -42.73 96.97 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.824 1.25 . . . . 10.0 111.029 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -58.05 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 125.947 1.699 . . . . 10.0 108.649 169.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -38.86 78.65 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.912 0.485 . . . . 10.0 111.914 -172.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -39.83 70.82 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.379 0.99 . . . . 10.0 112.295 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.371 2.8 t60 -72.79 -20.01 61.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.445 1.498 . . . . 10.0 111.797 170.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.93 -40.99 37.85 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 119.931 -1.731 . . . . 10.0 109.307 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -37.75 86.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.419 1.463 . . . . 10.0 111.344 174.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.41 -23.45 66.31 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 121.004 -1.06 . . . . 10.0 110.264 168.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.9 tp -77.82 -43.02 31.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 117.647 -1.168 . . . . 10.0 113.573 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 m -60.59 -41.22 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 120.682 1.583 . . . . 10.0 110.205 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -67.73 -40.16 84.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 115.99 -1.957 . . . . 10.0 109.004 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.64 74.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 122.114 2.233 . . . . 10.0 111.484 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -61.97 -46.76 87.84 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.774 0.715 . . . . 10.0 110.531 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.98 -32.91 74.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.987 2.115 . . . . 10.0 113.154 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.77 -39.93 63.82 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 125.543 1.537 . . . . 10.0 109.422 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.463 0.0 OUTLIER -67.95 -33.07 73.96 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.326 -0.845 . . . . 10.0 111.566 172.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.85 73.77 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.798 -1.814 . . . . 10.0 113.34 169.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.3 -25.46 62.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.84 1.256 . . . . 10.0 112.231 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.75 37.84 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.711 -1.243 . . . . 10.0 111.81 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.36 -38.25 84.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.167 -1.583 . . . . 10.0 109.346 169.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 17.0 tptt -56.53 -36.64 69.45 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.794 0.838 . . . . 10.0 110.355 169.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.53 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.312 3.3 p -76.13 -22.12 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-N 118.88 0.764 . . . . 10.0 112.487 169.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.06 -37.61 88.07 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 119.997 -1.689 . . . . 10.0 111.791 168.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.6 p -111.3 -24.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 117.508 2.41 . . . . 10.0 117.508 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -150.87 71.71 8.75 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.55 0.74 . . . . 10.0 112.137 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.275 4.8 Cg_endo -59.37 51.47 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.128 1 C-N-CA 127.609 5.539 . . . . 10.0 118.986 -173.608 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.41 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.9 m-20 -73.58 149.14 42.32 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.857 -1.777 . . . . 10.0 108.91 167.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.48 -23.08 47.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.73 -45.69 87.48 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 CA-C-O 116.422 -1.752 . . . . 10.0 113.326 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -64.85 -24.64 67.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.041 2.655 . . . . 10.0 110.59 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -79.1 -29.35 43.23 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.906 1.683 . . . . 10.0 112.981 171.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.7 m -80.36 -39.53 28.33 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.049 1.739 . . . . 10.0 113.876 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.2 m -57.94 -29.64 65.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 130.519 3.528 . . . . 10.0 108.04 167.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -54.1 41.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 118.933 -1.107 . . . . 10.0 111.336 168.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -59.27 -26.09 64.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 125.979 1.712 . . . . 10.0 112.746 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.67 -45.7 57.59 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.15 2.58 . . . . 10.0 113.128 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.48 -41.19 80.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.766 1.27 . . . . 10.0 111.887 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -64.21 -28.14 69.54 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.402 2.681 . . . . 10.0 111.685 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.38 -32.71 64.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.163 0.985 . . . . 10.0 111.327 169.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.78 75.19 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.011 1.278 . . . . 10.0 109.053 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.54 -39.75 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.983 1.719 . . . . 10.0 110.721 172.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -68.32 -38.47 81.61 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.086 1.312 . . . . 10.0 113.824 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.9 m -54.92 -54.73 38.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.272 1.429 . . . . 10.0 110.557 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.97 -44.16 96.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 129.44 3.096 . . . . 10.0 111.196 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.29 -43.46 73.81 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.879 1.672 . . . . 10.0 110.597 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -58.27 -49.42 77.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.885 0.874 . . . . 10.0 110.364 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -53.22 -60.26 3.52 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 116.96 -1.495 . . . . 10.0 108.962 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.9 mm? -62.98 -28.95 70.44 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 121.231 1.832 . . . . 10.0 114.842 -171.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.3 -50.7 54.85 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 120.761 1.619 . . . . 10.0 110.747 168.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -31.58 72.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.349 1.075 . . . . 10.0 113.751 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tp -74.83 -52.27 11.81 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 129.944 3.298 . . . . 10.0 109.696 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE2' HD13 ' A' ' 91' ' ' LEU . 42.4 mttm -61.37 -31.02 70.91 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.23 1.012 . . . . 10.0 110.497 174.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -35.22 61.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.963 1.305 . . . . 10.0 113.591 169.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.07 -43.49 82.16 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.775 1.625 . . . . 10.0 107.835 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.72 -52.11 67.09 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.574 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -24.54 51.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.341 1.882 . . . . 10.0 114.476 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.63 -44.96 18.03 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.601 1.091 . . . . 10.0 113.668 169.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.15 -53.56 54.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.044 2.537 . . . . 10.0 112.585 174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.442 -0.832 0 C-N-CA 126.695 1.998 . . . . 10.0 107.775 -169.531 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 118.043 -0.979 . . . . 10.0 112.396 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.68 -50.13 74.2 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.798 1.635 . . . . 10.0 109.973 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.81 -28.56 67.69 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.247 -0.581 . . . . 10.0 111.602 -169.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.73 -46.98 50.75 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.62 2.768 . . . . 10.0 113.295 169.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 -36.75 24.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 124.56 1.144 . . . . 10.0 113.899 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -26.07 67.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.61 1.564 . . . . 10.0 110.341 169.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.3 -38.78 34.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.512 1.125 . . . . 10.0 110.887 168.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.67 -42.47 92.93 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.779 0.832 . . . . 10.0 111.651 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.51 -56.98 2.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 C-N-CA 125.809 1.643 . . . . 10.0 108.448 169.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -38.86 82.69 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.97 0.908 . . . . 10.0 112.331 -173.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.9 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.983 -1.073 . . . . 10.0 112.265 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.298 1.9 t60 -71.42 -19.5 62.24 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.785 1.634 . . . . 10.0 110.651 169.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.78 -41.74 29.72 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.088 -1.632 . . . . 10.0 109.153 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.27 -38.62 88.23 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.272 1.396 . . . . 10.0 111.432 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -70.96 -19.11 62.59 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 120.882 -1.136 . . . . 10.0 110.746 168.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.09 -42.61 59.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 120.42 1.463 . . . . 10.0 112.698 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.13 -42.56 93.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 120.21 1.368 . . . . 10.0 110.407 170.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 HG21 ' HE3' ' A' ' 57' ' ' LYS . 29.9 m -66.1 -38.9 89.36 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 116.135 -1.888 . . . . 10.0 109.324 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.05 77.96 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 122.226 2.284 . . . . 10.0 111.32 173.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -62.9 -42.3 99.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.985 0.811 . . . . 10.0 110.765 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.501 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.93 -34.18 73.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.294 2.237 . . . . 10.0 113.475 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.501 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -72.35 -38.64 68.54 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.949 1.7 . . . . 10.0 109.046 172.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.37 0.2 OUTLIER -66.8 -36.75 83.11 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.43 172.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.11 -31.5 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 119.967 -1.708 . . . . 10.0 112.658 171.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.51 -24.07 62.77 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.697 1.199 . . . . 10.0 112.441 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.46 40.29 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.815 -1.178 . . . . 10.0 112.237 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.62 -39.91 88.55 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.308 -1.495 . . . . 10.0 109.704 169.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -61.05 -19.82 61.84 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 125.427 1.491 . . . . 10.0 112.222 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.13 -45.6 13.76 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.03 1.493 . . . . 10.0 115.03 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.5 p -65.64 -19.65 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 120.888 -1.133 . . . . 10.0 111.424 169.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.07 -48.48 78.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.382 1.473 . . . . 10.0 111.21 167.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -88.92 -37.47 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.5 1.52 . . . . 10.0 113.92 -169.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -151.93 76.54 7.24 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 10.0 111.647 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.264 7.5 Cg_endo -61.57 51.71 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.087 1 C-N-CA 126.983 5.122 . . . . 10.0 117.819 -175.808 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.7 m-20 -73.46 149.84 42.08 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.178 -1.576 . . . . 10.0 108.209 167.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.1 m-20 -57.73 -22.5 46.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.76 -41.89 88.57 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 CA-C-O 116.164 -1.874 . . . . 10.0 114.507 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -69.97 -25.13 63.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.789 2.541 . . . . 10.0 109.765 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.9 mttt -76.5 -41.98 45.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.417 1.487 . . . . 10.0 111.078 169.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -66.5 -32.58 74.02 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.97 1.367 . . . . 10.0 114.182 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 m -66.81 -29.72 69.73 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 130.167 3.387 . . . . 10.0 108.954 169.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.23 -50.8 62.57 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.51 -1.276 . . . . 10.0 109.545 167.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -57.97 -26.98 63.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 10.0 113.73 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -74.4 -45.06 49.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.763 2.425 . . . . 10.0 113.557 170.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -68.06 -38.52 82.52 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.866 -1.146 . . . . 10.0 111.475 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.377 2.671 . . . . 10.0 111.816 169.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.23 68.03 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.163 0.985 . . . . 10.0 111.626 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.92 -48.75 67.69 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 119.937 1.244 . . . . 10.0 109.57 168.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.14 -39.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 121.155 1.798 . . . . 10.0 110.281 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.58 -36.98 81.94 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.15 1.341 . . . . 10.0 113.914 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -57.53 -56.13 25.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.39 1.476 . . . . 10.0 110.718 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.65 -42.13 96.38 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.59 3.156 . . . . 10.0 110.447 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.04 -43.76 64.44 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.319 1.848 . . . . 10.0 111.335 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.8 m -57.97 -48.2 80.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.507 0.723 . . . . 10.0 110.129 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -54.68 -60.29 3.56 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 116.391 -1.766 . . . . 10.0 109.029 172.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.416 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -62.92 -29.29 70.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 121.695 2.043 . . . . 10.0 114.635 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.08 -51.9 49.14 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 120.396 1.453 . . . . 10.0 110.355 169.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -32.56 73.99 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.905 1.353 . . . . 10.0 114.126 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -72.2 -51.49 20.89 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 129.439 3.096 . . . . 10.0 109.36 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.416 ' HE2' HD13 ' A' ' 91' ' ' LEU . 44.5 mttm -62.33 -30.97 71.55 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.102 0.961 . . . . 10.0 110.574 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.6 59.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.797 1.239 . . . . 10.0 113.631 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.92 -45.09 96.05 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 120.508 1.504 . . . . 10.0 107.078 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.73 -50.68 71.5 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 117.423 -1.275 . . . . 10.0 112.439 173.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -25.35 60.46 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 121.224 1.829 . . . . 10.0 114.772 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.6 -43.82 19.93 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.491 1.041 . . . . 10.0 113.676 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -53.37 55.76 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 128.233 2.613 . . . . 10.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.441 -0.88 0 C-N-CA 126.822 2.049 . . . . 10.0 107.921 -169.499 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 117.979 -1.01 . . . . 10.0 112.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.32 -50.12 72.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.652 1.569 . . . . 10.0 110.082 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.01 -38.04 87.43 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.705 -0.398 . . . . 10.0 110.748 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.66 -48.46 77.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.767 2.027 . . . . 10.0 112.768 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -36.06 34.45 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.431 1.014 . . . . 10.0 112.842 -171.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -66.68 -26.44 67.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.652 1.581 . . . . 10.0 110.951 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.55 -37.72 35.8 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.562 1.145 . . . . 10.0 111.073 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.52 -43.69 93.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.944 1.297 . . . . 10.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.5 -57.67 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 125.798 1.639 . . . . 10.0 108.366 169.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -39.15 85.11 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.982 0.913 . . . . 10.0 112.405 -172.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.22 64.66 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.071 -1.018 . . . . 10.0 112.017 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.385 3.2 t60 -71.61 -19.3 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.806 1.642 . . . . 10.0 112.004 170.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.43 -41.34 27.85 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.31 -1.494 . . . . 10.0 109.525 168.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.51 -37.69 85.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.466 1.485 . . . . 10.0 111.379 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.54 -22.78 66.74 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.086 -1.009 . . . . 10.0 110.068 168.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.12 -43.15 22.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 117.521 -1.228 . . . . 10.0 113.115 174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 m -59.98 -42.05 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 CA-C-N 120.604 1.547 . . . . 10.0 109.882 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 m -67.02 -39.49 87.07 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.901 -1.999 . . . . 10.0 109.122 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.73 76.43 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 122.301 2.319 . . . . 10.0 111.576 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -63.14 -42.48 99.49 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.982 0.81 . . . . 10.0 110.785 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.31 -34.12 74.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.224 2.21 . . . . 10.0 113.242 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.04 -38.74 69.47 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 125.894 1.677 . . . . 10.0 109.146 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.2 OUTLIER -66.97 -37.07 83.57 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.979 -0.534 . . . . 10.0 111.441 171.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.31 -30.51 71.37 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.846 -1.784 . . . . 10.0 112.658 171.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.33 -24.94 62.21 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.626 1.171 . . . . 10.0 112.298 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.77 48.74 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.544 -1.347 . . . . 10.0 112.082 169.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.2 -38.51 85.45 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.52 -1.362 . . . . 10.0 109.997 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -60.49 -21.79 62.8 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 117.791 -1.1 . . . . 10.0 112.216 169.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.87 -46.0 14.71 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.251 1.574 . . . . 10.0 115.251 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p -65.38 -19.78 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 120.915 -1.116 . . . . 10.0 111.477 169.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -47.57 81.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.561 1.544 . . . . 10.0 111.525 168.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.4 m -89.72 -37.62 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.376 1.47 . . . . 10.0 113.867 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -152.09 77.74 6.77 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.602 0.761 . . . . 10.0 111.072 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.272 6.2 Cg_endo -60.92 53.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 126.987 5.125 . . . . 10.0 117.653 -176.35 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 74.4 m-20 -73.67 148.26 42.93 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 120.271 -1.518 . . . . 10.0 108.309 167.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.2 m-20 -57.13 -25.82 59.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.17 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-O 116.275 -1.821 . . . . 10.0 114.842 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.22 -24.41 64.02 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 122.609 2.459 . . . . 10.0 109.623 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -77.59 -42.91 33.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.37 1.468 . . . . 10.0 111.222 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.0 m -65.74 -32.81 74.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.464 -1.398 . . . . 10.0 114.46 171.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 m -65.63 -29.82 70.45 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 129.647 3.179 . . . . 10.0 108.875 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -50.93 62.45 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 118.522 -1.271 . . . . 10.0 109.761 167.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -58.42 -26.7 63.57 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.477 1.111 . . . . 10.0 113.746 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.18 -45.04 50.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.089 2.555 . . . . 10.0 113.526 170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.36 -39.47 81.81 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.947 -1.096 . . . . 10.0 111.548 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.43 -30.75 71.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.421 2.689 . . . . 10.0 111.947 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.67 71.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.993 0.917 . . . . 10.0 111.484 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.22 74.17 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 120.372 1.442 . . . . 10.0 110.075 168.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.74 -37.11 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.146 1.794 . . . . 10.0 110.19 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -69.08 -39.06 79.28 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.177 1.353 . . . . 10.0 113.946 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -54.72 -54.64 39.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.203 1.401 . . . . 10.0 110.436 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.32 -42.83 99.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.961 2.904 . . . . 10.0 110.697 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.2 -43.27 71.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.723 1.609 . . . . 10.0 111.068 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 -48.77 79.23 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.11 0.964 . . . . 10.0 110.069 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -54.04 -60.34 3.45 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-O 116.968 -1.492 . . . . 10.0 108.985 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.462 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.18 -26.83 68.99 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 121.895 2.134 . . . . 10.0 114.851 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.41 -49.96 47.63 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 120.915 1.689 . . . . 10.0 110.842 168.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.61 75.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.237 1.019 . . . . 10.0 113.588 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.58 -53.19 11.09 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 130.84 3.656 . . . . 10.0 110.2 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.462 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.2 mttm -61.45 -28.88 69.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.888 0.875 . . . . 10.0 110.52 174.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.93 60.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.228 1.411 . . . . 10.0 113.414 169.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -55.67 -44.37 77.23 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 120.485 1.493 . . . . 10.0 107.71 169.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.8 -52.73 64.45 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 117.389 -1.291 . . . . 10.0 112.936 172.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.96 53.32 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 121.285 1.857 . . . . 10.0 114.253 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.68 -45.08 17.75 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.522 1.129 . . . . 10.0 113.851 169.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.06 -53.4 53.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.273 2.629 . . . . 10.0 112.384 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.44 -0.938 0 C-N-CA 126.778 2.031 . . . . 10.0 107.878 -169.492 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 118.029 -0.986 . . . . 10.0 111.891 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.83 -51.13 70.19 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.542 1.519 . . . . 10.0 109.991 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.16 -33.43 75.76 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.127 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.66 -48.52 66.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.189 2.196 . . . . 10.0 112.942 169.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -35.5 36.28 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.42 1.009 . . . . 10.0 112.555 -171.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -25.97 66.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.738 1.615 . . . . 10.0 110.706 171.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.11 -37.69 33.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.905 1.282 . . . . 10.0 111.319 168.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.68 -42.4 97.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.658 1.183 . . . . 10.0 111.47 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -56.65 3.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 126.145 1.778 . . . . 10.0 107.853 169.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -66.72 -38.82 87.46 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.139 0.976 . . . . 10.0 112.328 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.41 -40.02 58.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.6 1.091 . . . . 10.0 112.677 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.303 1.9 t60 -71.36 -19.97 62.22 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.81 1.244 . . . . 10.0 110.625 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.7 -44.44 33.5 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 120.348 -1.47 . . . . 10.0 109.529 168.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -66.66 -37.44 84.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.797 1.635 . . . . 10.0 111.445 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.03 -26.42 68.26 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 121.278 -0.889 . . . . 10.0 110.225 168.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.17 -50.87 20.18 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.105 -0.95 . . . . 10.0 112.938 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 m -58.38 -37.98 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 120.398 1.453 . . . . 10.0 110.306 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.1 m -68.52 -42.37 78.62 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 115.864 -2.017 . . . . 10.0 109.664 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.97 65.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.236 2.289 . . . . 10.0 111.25 171.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.27 -39.05 75.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.243 0.617 . . . . 10.0 112.368 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.1 -32.54 72.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.772 2.029 . . . . 10.0 112.827 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.32 -38.92 68.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.604 1.562 . . . . 10.0 109.301 172.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -67.15 -35.99 80.89 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.577 -0.725 . . . . 10.0 111.785 170.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -64.82 -31.25 72.39 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 119.911 -1.743 . . . . 10.0 112.402 171.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.47 -24.02 62.79 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.67 1.188 . . . . 10.0 112.337 169.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.17 -33.44 38.37 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.637 -1.29 . . . . 10.0 112.182 169.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -66.46 -38.39 87.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.359 -1.463 . . . . 10.0 109.858 169.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.34 -22.69 63.54 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.516 1.126 . . . . 10.0 112.106 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.91 -45.97 15.93 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 172.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.335 3.5 p -65.49 -19.74 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.019 -1.051 . . . . 10.0 111.388 169.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.42 -49.07 75.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.302 1.441 . . . . 10.0 111.308 167.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG13 ' HE3' ' A' ' 63' ' ' LYS . 19.0 m -87.13 -38.31 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.262 1.425 . . . . 10.0 113.809 -169.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -152.22 78.83 6.36 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 123.415 0.686 . . . . 10.0 110.853 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.9 Cg_endo -60.86 53.51 0.09 OUTLIER 'Trans proline' 0 CA--C 1.545 1.057 1 C-N-CA 127.061 5.174 . . . . 10.0 117.412 -176.655 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.6 m-20 -74.33 148.13 41.61 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 120.335 -1.478 . . . . 10.0 108.433 167.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.8 m-20 -57.86 -22.95 50.67 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -174.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.83 -41.66 88.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 CA-C-O 116.235 -1.84 . . . . 10.0 114.422 169.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -69.91 -25.55 63.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 122.71 2.504 . . . . 10.0 109.592 -175.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.7 mttt -76.4 -41.41 47.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.288 1.435 . . . . 10.0 111.139 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -67.25 -33.77 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.971 1.367 . . . . 10.0 114.228 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.4 m -65.33 -29.48 70.23 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 130.086 3.354 . . . . 10.0 108.847 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -51.36 58.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 118.698 -1.201 . . . . 10.0 109.783 167.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.94 -26.4 62.21 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 10.0 113.721 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -74.81 -45.67 41.88 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.959 2.504 . . . . 10.0 113.695 170.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -68.22 -37.89 81.33 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.756 -1.215 . . . . 10.0 111.266 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -62.61 -32.08 73.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.304 2.642 . . . . 10.0 111.85 169.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.51 69.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.394 1.077 . . . . 10.0 111.718 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -48.1 64.96 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 120.065 1.302 . . . . 10.0 109.528 168.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.7 t -54.42 -35.37 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 121.076 1.762 . . . . 10.0 110.188 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -69.96 -37.77 75.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.127 1.331 . . . . 10.0 114.292 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.1 m -56.27 -55.79 28.96 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.302 1.441 . . . . 10.0 110.619 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.26 -42.28 98.36 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 129.034 2.934 . . . . 10.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.52 -41.32 72.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.384 1.473 . . . . 10.0 110.892 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -58.07 -49.35 77.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.525 0.73 . . . . 10.0 109.891 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -53.4 -59.98 3.88 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 116.492 -1.718 . . . . 10.0 109.23 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.33 -29.47 70.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.615 1.552 . . . . 10.0 114.196 -171.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.56 -48.88 73.81 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 120.438 1.472 . . . . 10.0 110.45 169.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -28.25 67.01 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.715 1.258 . . . . 10.0 114.322 176.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.35 -48.89 18.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 127.925 2.49 . . . . 10.0 108.706 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -65.1 -30.58 71.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.395 1.078 . . . . 10.0 110.692 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -38.03 63.84 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 117.616 -1.183 . . . . 10.0 112.771 169.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.76 -48.47 69.68 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.699 -1.593 . . . . 10.0 106.699 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -50.86 69.94 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.781 -1.104 . . . . 10.0 112.002 175.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.85 -27.14 59.85 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.186 1.812 . . . . 10.0 114.961 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.19 -42.77 22.71 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 10.0 113.636 169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.89 -53.46 55.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.12 2.568 . . . . 10.0 112.481 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.442 -0.866 0 C-N-CA 127.091 2.156 . . . . 10.0 108.169 -169.461 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 118.026 -0.988 . . . . 10.0 112.088 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.73 -50.51 72.98 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.862 1.665 . . . . 10.0 109.963 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.81 -41.2 92.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.464 -0.495 . . . . 10.0 110.459 -170.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.29 -47.18 86.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.481 2.713 . . . . 10.0 113.425 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -35.97 32.58 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.143 -0.973 . . . . 10.0 113.046 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -30.1 69.97 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.632 1.573 . . . . 10.0 109.943 169.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.32 -39.95 67.82 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.807 -1.183 . . . . 10.0 111.475 168.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.01 -40.17 96.97 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.751 0.705 . . . . 10.0 112.023 172.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -57.93 3.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 124.973 1.309 . . . . 10.0 108.237 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -37.9 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.026 0.53 . . . . 10.0 112.027 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.85 55.08 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.911 -1.118 . . . . 10.0 112.489 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.298 2.1 t60 -72.07 -20.48 61.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.743 1.217 . . . . 10.0 110.389 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.86 -44.2 33.14 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 120.228 -1.545 . . . . 10.0 109.7 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.98 -39.76 90.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.374 1.443 . . . . 10.0 110.938 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -63.7 -26.5 68.69 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.422 -0.799 . . . . 10.0 110.32 168.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 tp -72.3 -50.12 29.41 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.777 -1.106 . . . . 10.0 112.707 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -59.18 -39.24 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 121.288 1.858 . . . . 10.0 110.459 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -64.87 -41.79 95.37 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 116.495 -1.717 . . . . 10.0 108.88 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.64 79.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 122.053 2.206 . . . . 10.0 112.084 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -42.99 99.83 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.033 0.833 . . . . 10.0 110.142 169.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -67.75 -35.13 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.485 1.914 . . . . 10.0 113.225 178.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.9 mmpt? -70.58 -39.0 74.14 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.625 1.57 . . . . 10.0 109.153 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -66.65 -36.72 83.24 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 118.938 -0.553 . . . . 10.0 111.528 171.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 119.852 -1.78 . . . . 10.0 112.554 172.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.09 -25.24 62.52 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.521 1.128 . . . . 10.0 112.358 169.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.03 -33.88 50.85 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.804 -1.185 . . . . 10.0 112.07 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.06 -38.75 86.36 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.456 -1.402 . . . . 10.0 110.035 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -60.37 -22.05 62.84 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.453 1.101 . . . . 10.0 112.265 169.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.56 -46.42 14.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.339 3.8 p -64.89 -19.76 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.078 -1.014 . . . . 10.0 111.366 169.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.64 -49.37 73.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.51 1.524 . . . . 10.0 111.538 167.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 m -87.26 -38.2 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.431 1.492 . . . . 10.0 113.915 -169.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -152.26 78.5 6.43 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.486 0.714 . . . . 10.0 110.814 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 5.3 Cg_endo -60.83 56.46 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.989 1 C-N-CA 126.927 5.085 . . . . 10.0 117.268 -176.534 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -75.12 148.3 39.8 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.43 -1.419 . . . . 10.0 108.708 167.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.2 t70 -55.75 -29.46 59.59 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.43 0.692 . . . . 10.0 112.741 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.42 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.128 0 CA-C-O 116.326 -1.797 . . . . 10.0 114.977 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -68.9 -24.17 64.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 122.555 2.434 . . . . 10.0 109.508 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.8 mttt -79.12 -41.52 28.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.136 1.374 . . . . 10.0 111.05 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.6 -33.31 75.37 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.486 -1.384 . . . . 10.0 114.563 171.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -29.8 70.79 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 129.496 3.118 . . . . 10.0 108.826 169.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.71 58.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.464 -1.294 . . . . 10.0 109.915 167.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -58.22 -26.43 62.83 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.622 1.169 . . . . 10.0 113.704 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -74.36 -45.84 44.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.03 2.532 . . . . 10.0 113.731 170.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.91 -39.61 83.54 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.969 -1.082 . . . . 10.0 111.419 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -62.16 -31.04 71.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.423 2.689 . . . . 10.0 112.047 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.69 -35.43 72.8 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.3 -0.857 . . . . 10.0 111.615 169.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.84 72.56 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 120.332 1.424 . . . . 10.0 110.334 168.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.86 -38.0 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 120.885 1.675 . . . . 10.0 110.214 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -69.14 -39.36 78.9 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.166 1.348 . . . . 10.0 113.983 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -54.42 -55.16 31.55 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.081 1.352 . . . . 10.0 110.405 169.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.51 -43.35 99.02 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 129.148 2.979 . . . . 10.0 111.028 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.54 -42.5 71.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 10.0 111.106 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -57.54 -49.6 75.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.769 0.827 . . . . 10.0 110.034 172.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -53.5 -60.51 3.21 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 116.51 -1.71 . . . . 10.0 108.905 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD13 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.15 -29.18 70.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 121.463 1.938 . . . . 10.0 114.746 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.12 -50.5 56.87 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 120.949 1.704 . . . . 10.0 111.051 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.49 81.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.012 0.906 . . . . 10.0 113.126 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.1 -52.35 24.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 130.446 3.498 . . . . 10.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' A' ' 91' ' ' LEU . 72.0 mttt -61.96 -30.26 70.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.232 1.013 . . . . 10.0 110.707 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.32 64.07 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.907 1.283 . . . . 10.0 113.171 169.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -58.99 -44.32 91.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 120.217 1.371 . . . . 10.0 107.856 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.15 -51.51 69.71 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 117.277 -1.344 . . . . 10.0 112.648 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.54 -24.52 56.55 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 121.443 1.929 . . . . 10.0 114.085 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.8 -45.09 17.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.323 1.049 . . . . 10.0 113.589 168.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.66 -53.48 54.21 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.833 2.453 . . . . 10.0 112.523 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.442 -0.863 0 C-N-CA 127.075 2.15 . . . . 10.0 107.885 -169.604 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.223 -0.319 0 CA-C-O 117.769 -1.11 . . . . 10.0 112.283 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.16 -50.21 73.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 121.094 1.77 . . . . 10.0 109.941 169.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.89 -34.19 77.56 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 121.178 0.513 . . . . 10.0 111.318 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -68.8 -46.68 68.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.347 2.659 . . . . 10.0 113.398 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.87 -37.51 29.71 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.948 -1.095 . . . . 10.0 113.604 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -25.14 67.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.321 1.449 . . . . 10.0 110.801 171.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.84 -41.46 26.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.285 1.434 . . . . 10.0 111.604 169.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.57 -40.11 82.19 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.836 0.854 . . . . 10.0 111.874 171.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.89 -57.86 2.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 125.209 1.403 . . . . 10.0 108.413 169.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.21 -40.52 90.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.434 1.094 . . . . 10.0 112.31 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -36.57 58.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.053 -1.03 . . . . 10.0 112.414 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.304 2.1 t60 -72.63 -19.97 61.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.862 1.265 . . . . 10.0 110.716 169.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.11 -43.02 30.13 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 120.192 -1.567 . . . . 10.0 109.931 168.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.74 -39.84 91.54 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.927 1.24 . . . . 10.0 110.996 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.11 -23.74 67.43 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.131 -0.981 . . . . 10.0 110.449 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.56 -42.27 35.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 117.681 -1.152 . . . . 10.0 113.628 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.06 -43.0 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 120.773 1.624 . . . . 10.0 110.381 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.5 m -65.37 -40.05 93.04 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 116.443 -1.741 . . . . 10.0 108.278 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.39 78.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.904 2.138 . . . . 10.0 111.698 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -62.06 -42.85 99.62 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.709 0.766 . . . . 10.0 110.727 169.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.39 -34.95 75.27 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.831 2.052 . . . . 10.0 113.348 179.179 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.5 mmpt? -70.74 -38.5 73.55 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.94 1.696 . . . . 10.0 109.14 172.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.2 OUTLIER -67.23 -36.84 82.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.016 -0.516 . . . . 10.0 111.484 172.373 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 119.902 -1.749 . . . . 10.0 112.782 171.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.23 -24.69 62.24 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.602 1.161 . . . . 10.0 112.411 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.06 49.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.628 -1.295 . . . . 10.0 111.843 169.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.24 -38.75 85.69 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.547 -1.345 . . . . 10.0 109.88 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HE3' HG11 ' A' ' 67' ' ' VAL . 13.3 tptt -60.18 -23.51 64.02 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 124.269 1.028 . . . . 10.0 112.006 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.7 -44.16 19.18 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.94 1.459 . . . . 10.0 114.94 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 3.7 p -66.63 -19.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.02 -1.05 . . . . 10.0 111.45 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.77 -49.33 73.41 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.417 -1.427 . . . . 10.0 111.055 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 HG11 ' HE3' ' A' ' 63' ' ' LYS . 19.7 m -87.04 -37.78 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.406 . . . . 10.0 113.677 -169.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.71 75.96 7.56 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.652 0.781 . . . . 10.0 111.694 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.266 7.1 Cg_endo -61.5 51.15 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.06 1 C-N-CA 126.947 5.098 . . . . 10.0 117.851 -176.076 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.7 m-20 -73.48 149.56 42.24 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 120.18 -1.575 . . . . 10.0 108.21 167.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 79.6 m-20 -57.22 -23.2 46.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.65 -42.77 93.47 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 CA-C-O 116.272 -1.823 . . . . 10.0 114.383 169.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -69.51 -23.98 63.69 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 122.741 2.519 . . . . 10.0 109.953 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.8 mttt -77.56 -41.47 38.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.319 1.448 . . . . 10.0 111.304 170.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -33.0 74.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.417 -1.427 . . . . 10.0 114.218 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.5 m -64.93 -31.02 72.06 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 129.52 3.128 . . . . 10.0 108.349 168.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -52.01 50.12 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.802 -1.159 . . . . 10.0 109.756 167.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.76 -24.8 52.57 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.892 1.277 . . . . 10.0 114.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.75 -45.56 20.85 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 129.385 3.074 . . . . 10.0 113.83 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -67.17 -38.51 85.57 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 120.834 -1.166 . . . . 10.0 111.244 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.94 -31.92 73.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.288 2.635 . . . . 10.0 111.809 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 -34.88 72.59 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.667 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.51 70.91 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 120.47 1.486 . . . . 10.0 110.399 169.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.23 -37.64 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.875 1.671 . . . . 10.0 110.23 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -69.11 -39.53 78.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.995 1.271 . . . . 10.0 114.074 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -53.94 -55.07 30.39 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.354 1.462 . . . . 10.0 110.348 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.59 -44.25 96.79 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 129.424 3.09 . . . . 10.0 111.145 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -43.54 73.26 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.771 1.628 . . . . 10.0 110.802 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.7 m -58.33 -48.02 81.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.992 0.917 . . . . 10.0 110.27 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.41 -60.42 3.37 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 116.779 -1.581 . . . . 10.0 108.83 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.7 mm? -61.63 -29.13 69.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 121.469 1.94 . . . . 10.0 114.636 -172.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.03 -50.17 53.72 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 121.022 1.737 . . . . 10.0 111.322 169.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -31.87 73.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.671 1.235 . . . . 10.0 113.728 175.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.32 -52.88 9.76 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 130.508 3.523 . . . . 10.0 109.983 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.1 mttt -62.03 -30.42 70.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.436 1.095 . . . . 10.0 110.613 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -36.64 62.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.118 1.367 . . . . 10.0 113.248 169.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.24 -45.42 79.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 120.374 1.443 . . . . 10.0 107.593 169.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.24 -52.57 64.78 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 117.493 -1.241 . . . . 10.0 112.696 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 121.386 1.903 . . . . 10.0 114.471 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.66 -45.79 16.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.603 1.161 . . . . 10.0 113.803 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.77 -53.14 56.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.64 2.776 . . . . 10.0 112.557 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.441 -0.88 0 C-N-CA 126.514 1.925 . . . . 10.0 107.788 -169.535 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 117.981 -1.009 . . . . 10.0 112.335 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.4 -50.44 71.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.575 1.534 . . . . 10.0 110.076 170.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.22 -36.45 83.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.911 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -48.07 74.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.008 2.123 . . . . 10.0 112.836 169.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.4 -35.74 34.83 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 119.476 1.034 . . . . 10.0 112.775 -171.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.36 -26.99 67.53 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.669 1.588 . . . . 10.0 110.756 170.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -79.24 -36.66 39.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.435 1.094 . . . . 10.0 111.416 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.17 -42.57 98.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.771 1.228 . . . . 10.0 111.232 173.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -55.52 5.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 C-N-CA 126.04 1.736 . . . . 10.0 108.522 169.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.53 -39.55 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.906 1.282 . . . . 10.0 112.647 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.37 59.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 10.0 112.363 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.3 2.0 t60 -75.41 -22.7 57.21 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.345 1.458 . . . . 10.0 111.119 171.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -74.46 -40.03 62.14 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.114 -1.616 . . . . 10.0 109.17 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -35.96 65.78 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.281 -0.887 . . . . 10.0 111.045 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.93 -24.52 66.84 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 167.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -74.69 -47.47 31.47 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.635 -1.174 . . . . 10.0 113.257 171.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.53 -39.71 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 121.429 1.922 . . . . 10.0 109.956 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.8 m -67.0 -41.45 86.69 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 116.215 -1.85 . . . . 10.0 109.411 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.25 78.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 122.296 2.316 . . . . 10.0 111.721 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.824 0.738 . . . . 10.0 110.191 169.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.68 -38.35 89.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.443 1.897 . . . . 10.0 113.016 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.8 mmpt? -69.02 -39.87 78.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.584 1.954 . . . . 10.0 109.472 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.99 -34.3 77.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 118.697 -0.668 . . . . 10.0 111.375 171.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 2.3 ttpt -66.16 -32.75 74.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 119.981 -1.699 . . . . 10.0 112.907 170.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.19 -23.74 64.88 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.232 0.924 . . . . 10.0 111.758 169.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.91 37.36 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.611 -1.306 . . . . 10.0 112.175 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.87 -37.66 84.85 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.421 -1.424 . . . . 10.0 110.082 169.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 16.7 tptt -57.21 -38.05 73.13 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.294 1.037 . . . . 10.0 110.415 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.34 76.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.197 0.814 . . . . 10.0 113.197 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.319 4.1 p -77.21 -21.75 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 118.869 0.759 . . . . 10.0 112.534 169.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.44 -37.96 89.35 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.051 -1.655 . . . . 10.0 111.607 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.7 p -110.61 -24.73 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 117.44 2.385 . . . . 10.0 117.44 -166.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -151.36 72.17 8.37 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.251 0.621 . . . . 10.0 112.152 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 5.0 Cg_endo -59.0 50.51 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.173 1 C-N-CA 127.641 5.56 . . . . 10.0 119.036 -173.475 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.41 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.2 m-20 -73.6 149.79 41.85 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 119.96 -1.713 . . . . 10.0 108.769 167.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.0 m-20 -57.85 -23.25 51.99 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -174.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.67 -40.5 86.31 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 CA-C-O 116.153 -1.879 . . . . 10.0 114.35 169.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -70.15 -25.46 63.48 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 122.804 2.547 . . . . 10.0 110.039 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -75.92 -40.73 53.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.605 1.562 . . . . 10.0 111.218 170.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -69.04 -33.41 73.57 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.987 1.375 . . . . 10.0 114.411 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 m -65.47 -28.86 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.082 3.353 . . . . 10.0 108.978 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -51.55 59.91 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 118.395 -1.322 . . . . 10.0 109.634 167.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.47 -26.43 63.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.668 1.187 . . . . 10.0 113.702 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -74.3 -45.5 47.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.99 2.516 . . . . 10.0 113.795 170.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.55 -39.09 81.22 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.86 -1.15 . . . . 10.0 111.457 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -62.62 -29.8 70.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.242 2.617 . . . . 10.0 111.679 169.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.46 67.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.078 0.951 . . . . 10.0 111.75 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.63 65.56 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 120.179 1.354 . . . . 10.0 109.596 168.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.1 t -51.91 -38.92 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 121.067 1.758 . . . . 10.0 109.891 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t -68.09 -38.12 81.98 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.31 1.414 . . . . 10.0 113.894 174.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 m -55.77 -55.01 37.38 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.213 1.405 . . . . 10.0 110.641 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -42.4 99.04 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.249 3.02 . . . . 10.0 111.228 -175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.81 -41.99 70.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.364 1.865 . . . . 10.0 110.801 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.7 m -58.2 -48.79 79.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.891 0.876 . . . . 10.0 110.128 171.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -53.9 -60.26 3.56 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-O 117.113 -1.422 . . . . 10.0 109.027 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.418 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.65 -27.18 69.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 121.609 2.004 . . . . 10.0 114.719 -170.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.03 -49.92 50.37 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 120.659 1.572 . . . . 10.0 110.866 168.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -32.07 73.38 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.23 1.015 . . . . 10.0 113.699 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.0 -52.48 10.14 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 130.698 3.599 . . . . 10.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HE2' HD12 ' A' ' 91' ' ' LEU . 43.3 mttm -61.35 -29.09 69.69 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.993 0.917 . . . . 10.0 110.502 173.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -37.66 60.43 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.351 1.461 . . . . 10.0 113.268 169.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.26 -44.09 79.39 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.632 1.56 . . . . 10.0 107.867 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.35 -52.64 64.77 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.314 -1.327 . . . . 10.0 112.529 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.48 -24.53 46.67 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 121.527 1.967 . . . . 10.0 114.351 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.72 -45.76 16.58 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.57 1.148 . . . . 10.0 113.544 168.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.34 55.4 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.275 2.63 . . . . 10.0 112.645 174.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.441 -0.889 0 C-N-CA 126.913 2.085 . . . . 10.0 107.779 -169.454 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.193 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -56.62 -49.87 73.68 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 120.712 1.596 . . . . 10.0 110.335 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.11 -30.94 71.09 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 120.573 -0.451 . . . . 10.0 111.522 -169.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.19 -45.66 55.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.154 2.181 . . . . 10.0 112.834 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 -35.83 33.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.831 1.196 . . . . 10.0 113.063 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.29 -27.54 67.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.235 1.414 . . . . 10.0 110.545 169.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.42 -38.04 56.17 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.779 1.232 . . . . 10.0 111.052 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.3 -42.96 99.53 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.753 1.221 . . . . 10.0 111.199 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.27 -57.35 2.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 125.784 1.633 . . . . 10.0 108.567 169.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -34.35 73.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.192 0.597 . . . . 10.0 112.317 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.74 42.07 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.66 -1.275 . . . . 10.0 112.193 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.309 2.1 t60 -69.73 -21.69 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.004 1.322 . . . . 10.0 110.921 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.58 -43.27 39.51 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 120.137 -1.602 . . . . 10.0 109.876 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.41 -39.12 91.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.284 1.402 . . . . 10.0 111.045 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.85 -24.88 67.92 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.118 -0.989 . . . . 10.0 110.218 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.72 -42.75 33.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.52 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 m -61.08 -41.73 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 120.713 1.597 . . . . 10.0 110.345 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -66.73 -38.75 87.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 116.197 -1.858 . . . . 10.0 109.305 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.07 78.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.352 1.887 . . . . 10.0 111.226 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -62.4 -47.96 81.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.856 0.753 . . . . 10.0 110.202 169.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -29.35 70.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.119 2.167 . . . . 10.0 113.194 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -78.65 -40.31 34.53 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.956 2.102 . . . . 10.0 109.95 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.459 0.0 OUTLIER -68.51 -32.82 73.06 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.298 -0.858 . . . . 10.0 111.273 169.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -67.61 -33.59 75.3 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.217 -2.177 . . . . 10.0 113.64 169.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -24.1 61.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.354 1.062 . . . . 10.0 112.239 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.64 39.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.457 -1.402 . . . . 10.0 111.415 168.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -67.5 -38.19 83.95 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.265 -1.522 . . . . 10.0 109.507 169.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 15.1 tptt -56.8 -36.63 70.12 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 123.611 0.764 . . . . 10.0 110.44 169.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.02 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.316 3.5 p -75.63 -21.68 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 121.479 -0.763 . . . . 10.0 112.515 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.67 -39.24 93.32 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.009 -1.682 . . . . 10.0 111.634 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.8 p -108.71 -24.66 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 117.398 2.37 . . . . 10.0 117.398 -166.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -151.35 72.1 8.37 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.36 0.664 . . . . 10.0 112.206 169.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.276 4.5 Cg_endo -59.43 54.22 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.049 1 C-N-CA 127.421 5.414 . . . . 10.0 119.027 -173.169 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -75.33 151.73 38.22 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 119.866 -1.771 . . . . 10.0 108.62 167.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.04 -33.07 37.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.943 1.297 . . . . 10.0 114.333 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.93 -38.79 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 115.894 -2.003 . . . . 10.0 113.997 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.09 -24.19 64.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 122.662 2.483 . . . . 10.0 109.955 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -79.18 -38.1 36.7 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.156 1.383 . . . . 10.0 111.259 171.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.3 m -71.22 -35.44 71.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.9 1.333 . . . . 10.0 114.196 172.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m -62.76 -28.9 70.29 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 130.032 3.333 . . . . 10.0 108.688 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -53.41 48.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 118.723 -1.191 . . . . 10.0 110.557 167.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.01 -27.22 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.075 1.35 . . . . 10.0 113.122 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.86 -45.46 61.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.8 2.44 . . . . 10.0 113.417 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.7 -40.7 79.91 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.571 1.177 . . . . 10.0 111.842 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -64.23 -28.62 69.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.304 2.641 . . . . 10.0 111.792 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.86 64.71 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 10.0 111.447 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.12 74.75 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 120.012 1.278 . . . . 10.0 109.13 168.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.21 -39.62 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.887 1.676 . . . . 10.0 110.661 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -68.45 -38.23 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.995 1.271 . . . . 10.0 114.011 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -55.08 -55.1 34.78 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.324 1.45 . . . . 10.0 110.489 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -43.63 98.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.448 3.099 . . . . 10.0 111.247 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.22 -43.11 71.32 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.832 1.653 . . . . 10.0 110.832 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.6 m -57.79 -49.46 76.54 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.735 0.814 . . . . 10.0 110.091 172.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -53.17 -60.45 3.28 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 116.566 -1.683 . . . . 10.0 108.95 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.99 -30.06 71.3 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 121.397 1.908 . . . . 10.0 114.721 -171.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.29 -50.48 59.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 120.955 1.707 . . . . 10.0 111.149 169.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.48 80.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 117.957 0.878 . . . . 10.0 113.209 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.74 -52.31 21.65 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.529 3.531 . . . . 10.0 110.154 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE3' HD11 ' A' ' 91' ' ' LEU . 71.6 mttt -61.28 -30.26 70.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.405 1.082 . . . . 10.0 110.601 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -35.09 61.65 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.35 1.46 . . . . 10.0 113.782 169.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.77 -43.49 90.41 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 120.323 1.419 . . . . 10.0 107.463 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.75 -51.9 68.01 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 117.366 -1.302 . . . . 10.0 112.733 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.08 58.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 121.368 1.895 . . . . 10.0 114.165 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.62 -43.99 19.6 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.414 1.086 . . . . 10.0 113.7 169.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -53.2 59.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.002 2.521 . . . . 10.0 112.752 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.441 -0.878 0 C-N-CA 126.937 2.095 . . . . 10.0 108.137 -169.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.24 -50.87 72.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.69 1.586 . . . . 10.0 109.801 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.54 -37.86 89.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.228 -0.589 . . . . 10.0 110.974 -171.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.46 -47.35 82.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 128.335 2.654 . . . . 10.0 114.323 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -36.14 31.94 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 124.14 0.976 . . . . 10.0 113.132 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -28.34 68.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.461 1.504 . . . . 10.0 110.132 169.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.82 -39.41 56.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.658 1.183 . . . . 10.0 111.055 168.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -39.47 90.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.671 0.789 . . . . 10.0 111.701 173.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -58.54 2.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 C-N-CA 125.615 1.566 . . . . 10.0 108.309 169.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -37.92 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.149 0.58 . . . . 10.0 111.921 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.53 -37.39 60.09 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.079 -1.013 . . . . 10.0 112.45 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.305 2.2 t60 -73.42 -19.75 60.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.508 1.123 . . . . 10.0 110.587 169.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -77.58 -42.83 33.75 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 120.274 -1.516 . . . . 10.0 109.856 168.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.74 -36.87 81.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 120.476 1.489 . . . . 10.0 111.098 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -66.02 -23.45 66.56 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.327 -0.858 . . . . 10.0 109.927 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.43 -44.58 24.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.328 0.967 . . . . 10.0 113.257 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.1 m -60.55 -41.78 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 CA-C-N 120.525 1.511 . . . . 10.0 110.38 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -66.62 -38.35 86.77 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 115.832 -2.033 . . . . 10.0 109.18 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.46 77.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 122.352 2.342 . . . . 10.0 111.617 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 mmt180 -63.18 -43.78 97.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.102 0.864 . . . . 10.0 110.804 169.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.9 -36.91 83.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.108 2.163 . . . . 10.0 112.795 -179.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -70.43 -39.97 74.08 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.994 2.117 . . . . 10.0 109.534 172.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.3 OUTLIER -65.2 -36.9 85.62 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.511 0.596 . . . . 10.0 111.243 172.315 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -65.7 -33.32 75.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 119.952 -1.718 . . . . 10.0 112.865 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.13 -23.33 65.8 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 119.339 0.972 . . . . 10.0 112.282 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.52 38.72 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.759 -1.213 . . . . 10.0 112.016 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.9 -39.09 90.29 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.465 -1.397 . . . . 10.0 110.135 169.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -60.51 -23.36 64.48 Favored 'General case' 0 C--O 1.22 -0.5 0 C-N-CA 125.025 1.33 . . . . 10.0 112.226 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 -45.64 16.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.803 1.408 . . . . 10.0 114.803 173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.343 3.6 p -65.44 -19.4 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 121.236 -0.915 . . . . 10.0 111.51 169.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.47 -49.58 70.86 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.47 -1.394 . . . . 10.0 111.289 167.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.83 -38.72 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.254 1.422 . . . . 10.0 113.958 -169.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -152.15 79.46 6.22 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.354 0.662 . . . . 10.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.1 Cg_endo -60.19 54.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.545 1.036 1 C-N-CA 127.118 5.212 . . . . 10.0 117.382 -177.281 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.9 m-20 -73.64 147.38 43.79 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 120.36 -1.463 . . . . 10.0 108.456 167.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -56.93 -27.09 60.58 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.03 -41.03 91.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 CA-C-O 116.321 -1.799 . . . . 10.0 114.801 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.86 -24.33 64.33 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.601 2.455 . . . . 10.0 109.606 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -78.23 -42.59 30.81 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.395 1.478 . . . . 10.0 111.196 170.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -65.45 -33.31 75.64 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.392 -1.442 . . . . 10.0 114.503 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.7 m -65.25 -29.33 70.1 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 129.687 3.195 . . . . 10.0 108.945 169.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -51.45 58.46 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 118.601 -1.24 . . . . 10.0 109.762 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.31 -26.65 63.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.602 1.161 . . . . 10.0 113.658 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.9 -46.05 46.93 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.899 2.48 . . . . 10.0 113.504 170.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.87 -37.95 82.46 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.931 -1.106 . . . . 10.0 111.462 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -63.35 -32.51 73.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.434 2.694 . . . . 10.0 111.978 169.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.15 69.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.146 0.978 . . . . 10.0 111.754 169.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.07 63.44 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 119.927 1.24 . . . . 10.0 109.81 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -51.38 -38.91 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 121.201 1.819 . . . . 10.0 110.285 173.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -38.22 80.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.964 1.257 . . . . 10.0 114.036 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -55.77 -55.58 30.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.442 1.497 . . . . 10.0 110.499 169.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.88 -43.32 99.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 129.526 3.13 . . . . 10.0 111.119 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.19 -43.8 70.01 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.893 1.677 . . . . 10.0 110.943 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.4 m -57.37 -48.64 78.51 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.649 0.78 . . . . 10.0 110.166 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -54.0 -60.42 3.35 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.197 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD13 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.24 -29.16 70.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 121.661 2.028 . . . . 10.0 114.614 -171.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.19 51.17 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 120.715 1.598 . . . . 10.0 111.169 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -33.17 74.06 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.621 1.211 . . . . 10.0 113.601 175.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tp -73.39 -52.58 13.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 129.979 3.312 . . . . 10.0 109.995 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HE3' HD13 ' A' ' 91' ' ' LEU . 72.4 mttt -61.51 -30.0 70.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.272 1.029 . . . . 10.0 110.545 174.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.79 59.1 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.578 1.551 . . . . 10.0 114.044 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -60.5 -44.63 95.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.491 1.496 . . . . 10.0 107.116 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.34 -50.89 71.5 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 117.304 -1.331 . . . . 10.0 112.19 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.98 54.13 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.396 1.907 . . . . 10.0 114.439 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.77 -45.84 16.36 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.686 1.13 . . . . 10.0 113.373 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.7 -53.64 52.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.305 2.642 . . . . 10.0 112.546 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.445 -0.691 0 C-N-CA 126.856 2.062 . . . . 10.0 108.027 -169.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 118.018 -0.991 . . . . 10.0 112.401 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.46 -49.56 74.29 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.548 1.522 . . . . 10.0 110.598 170.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -67.56 -26.87 66.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.875 -169.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -76.91 -46.62 23.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.644 2.378 . . . . 10.0 112.354 169.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 -36.44 32.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.635 1.107 . . . . 10.0 113.426 -172.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -66.66 -27.66 67.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.161 1.384 . . . . 10.0 110.42 170.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.34 -38.41 55.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.762 1.225 . . . . 10.0 111.296 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.98 -44.26 97.62 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.675 1.19 . . . . 10.0 111.095 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.71 -56.68 2.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 125.908 1.683 . . . . 10.0 108.807 169.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -36.32 73.54 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.932 0.493 . . . . 10.0 112.127 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.78 61.39 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.83 -1.169 . . . . 10.0 112.573 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' HD11 ' A' ' 87' ' ' LEU 0.328 2.0 t60 -73.34 -19.28 61.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.412 1.885 . . . . 10.0 111.154 169.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -80.07 -41.45 25.59 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 120.344 -1.472 . . . . 10.0 109.259 168.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.5 -38.03 86.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.592 1.542 . . . . 10.0 111.312 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -66.27 -21.57 66.28 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.122 -0.986 . . . . 10.0 110.16 168.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.9 tp -80.1 -43.47 21.68 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 117.588 -1.196 . . . . 10.0 113.278 173.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.76 -41.25 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 CA-C-N 120.555 1.525 . . . . 10.0 110.131 170.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.6 m -70.73 -34.91 72.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 115.957 -1.973 . . . . 10.0 110.273 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.33 77.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.572 1.987 . . . . 10.0 110.995 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -63.85 -48.66 75.86 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.159 0.891 . . . . 10.0 110.273 169.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -29.95 70.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.663 1.985 . . . . 10.0 112.333 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -42.16 25.38 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.223 2.209 . . . . 10.0 110.589 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER -65.86 -32.65 74.29 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 118.655 -0.688 . . . . 10.0 110.791 169.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -69.73 -34.35 73.72 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 119.684 -1.885 . . . . 10.0 113.445 169.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.83 -24.5 65.28 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.726 1.148 . . . . 10.0 111.71 169.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.31 35.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.464 -1.397 . . . . 10.0 112.095 168.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.6 -37.76 85.56 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.107 -1.62 . . . . 10.0 109.704 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 15.7 tptt -57.26 -37.47 72.39 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 124.295 1.038 . . . . 10.0 110.341 169.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.96 77.31 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.199 0.815 . . . . 10.0 113.199 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.314 3.6 p -75.57 -22.62 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.561 -0.712 . . . . 10.0 112.562 170.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.26 -37.92 89.2 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 119.966 -1.709 . . . . 10.0 111.812 168.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.459 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.7 p -109.86 -25.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 117.364 2.357 . . . . 10.0 117.364 -166.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -151.53 72.53 8.24 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.406 0.682 . . . . 10.0 112.003 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 4.3 Cg_endo -58.99 53.67 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.1 1 C-N-CA 127.643 5.562 . . . . 10.0 119.193 -173.092 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.42 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 75.3 m-20 -74.3 148.66 41.2 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 119.812 -1.805 . . . . 10.0 109.114 167.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.44 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 82.0 m-20 -57.49 -24.47 56.05 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.781 0.8 . . . . 10.0 113.058 -174.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.79 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-O 116.158 -1.877 . . . . 10.0 114.113 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -67.79 -26.49 66.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 122.851 2.568 . . . . 10.0 110.034 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -78.11 -30.62 49.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.877 1.671 . . . . 10.0 112.392 171.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 m -79.99 -36.13 36.43 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 123.185 1.469 . . . . 10.0 113.929 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.6 m -60.82 -29.15 69.3 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 130.122 3.369 . . . . 10.0 108.03 168.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -54.28 40.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.117 -1.033 . . . . 10.0 111.322 168.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.66 -26.44 65.53 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.633 1.573 . . . . 10.0 112.6 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -72.56 -45.76 57.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.914 2.486 . . . . 10.0 113.312 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.4 -41.14 80.91 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.725 1.25 . . . . 10.0 112.064 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -63.88 -29.63 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 128.314 2.646 . . . . 10.0 111.826 169.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.97 67.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.089 0.956 . . . . 10.0 111.442 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.76 74.54 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 119.875 1.216 . . . . 10.0 109.397 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.9 t -51.46 -39.97 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 121.387 1.903 . . . . 10.0 110.783 172.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.5 t -67.11 -38.0 84.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.905 1.229 . . . . 10.0 113.774 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.1 m -56.27 -55.43 33.46 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.269 1.427 . . . . 10.0 110.786 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 47' ' ' HIS . 4.2 mm? -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 129.168 2.987 . . . . 10.0 110.86 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.12 -44.1 69.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.058 1.743 . . . . 10.0 111.061 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.66 -48.63 78.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.834 0.853 . . . . 10.0 110.154 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -53.76 -60.31 3.48 Favored 'General case' 0 CA--C 1.493 -1.242 0 CA-C-O 116.911 -1.518 . . . . 10.0 108.967 172.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.8 mm? -63.11 -27.7 69.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 121.763 2.074 . . . . 10.0 114.847 -171.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.6 -50.73 46.93 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 120.778 1.626 . . . . 10.0 110.979 168.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -33.22 74.31 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.194 0.997 . . . . 10.0 113.587 176.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tp -73.71 -53.26 10.77 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 130.699 3.6 . . . . 10.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HE2' HD13 ' A' ' 91' ' ' LEU . 41.1 mttm -61.14 -29.85 70.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.876 0.87 . . . . 10.0 110.527 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -37.38 62.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.087 1.355 . . . . 10.0 113.431 169.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -55.83 -43.66 77.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 120.481 1.491 . . . . 10.0 107.897 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.94 -52.0 67.64 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 117.535 -1.221 . . . . 10.0 112.921 172.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.49 53.65 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 121.162 1.801 . . . . 10.0 114.38 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.68 -44.93 17.99 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.689 1.196 . . . . 10.0 113.529 169.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.16 -53.09 60.41 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.358 2.663 . . . . 10.0 112.802 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.443 -0.78 0 C-N-CA 126.637 1.975 . . . . 10.0 107.855 -169.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 117.9 -1.047 . . . . 10.0 112.314 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.49 -50.74 70.89 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.848 1.658 . . . . 10.0 110.158 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -65.98 -35.09 79.64 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.451 0.469 . . . . 10.0 111.132 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.47 -47.74 69.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.434 2.293 . . . . 10.0 112.742 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.29 -36.18 34.8 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.751 1.159 . . . . 10.0 112.638 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -65.85 -27.27 68.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.742 1.617 . . . . 10.0 111.031 170.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.13 -37.57 38.23 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.084 1.354 . . . . 10.0 111.629 168.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.39 -42.89 96.84 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.63 1.172 . . . . 10.0 111.034 174.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -60.17 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 125.884 1.674 . . . . 10.0 108.808 169.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -40.03 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.771 0.429 . . . . 10.0 111.675 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.13 72.53 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.3 -0.875 . . . . 10.0 112.275 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.393 3.0 t60 -72.37 -19.24 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.322 1.849 . . . . 10.0 112.034 170.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.42 -40.97 28.69 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.513 1.506 . . . . 10.0 109.806 168.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -68.17 -37.74 81.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.305 1.412 . . . . 10.0 111.517 174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -64.51 -26.72 68.55 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.257 -0.902 . . . . 10.0 109.572 168.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.31 -49.84 25.38 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 117.617 -1.182 . . . . 10.0 112.173 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -58.53 -38.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 121.166 1.803 . . . . 10.0 110.626 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -66.32 -40.46 89.94 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 116.134 -1.889 . . . . 10.0 109.432 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.67 75.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 122.313 2.324 . . . . 10.0 111.95 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -43.85 97.44 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.277 0.944 . . . . 10.0 110.281 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.03 -37.65 86.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.605 1.962 . . . . 10.0 113.04 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -69.16 -39.43 78.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.714 2.005 . . . . 10.0 109.605 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.369 0.3 OUTLIER -65.4 -35.14 80.05 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 118.778 -0.629 . . . . 10.0 111.487 171.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 1.5 ttpt -65.88 -33.2 75.28 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.012 -1.68 . . . . 10.0 112.933 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.3 -23.24 65.63 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.209 0.913 . . . . 10.0 111.955 169.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.2 -32.8 38.58 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.493 -1.379 . . . . 10.0 112.012 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.01 -37.89 85.0 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.391 -1.443 . . . . 10.0 110.32 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 16.9 tptt -56.9 -38.41 72.76 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.3 1.04 . . . . 10.0 110.436 169.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.15 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -78.16 -21.79 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 118.868 0.758 . . . . 10.0 112.494 169.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.53 -36.96 85.92 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.001 -1.687 . . . . 10.0 111.706 168.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.5 p -112.4 -24.07 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 117.401 2.371 . . . . 10.0 117.401 -166.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.62 70.8 8.91 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.509 0.724 . . . . 10.0 112.392 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.279 3.9 Cg_endo -59.14 48.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 127.634 5.556 . . . . 10.0 119.25 -172.984 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -72.98 150.04 42.81 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 119.762 -1.837 . . . . 10.0 108.692 167.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.89 -22.49 48.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.654 0.74 . . . . 10.0 112.992 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.97 -40.44 85.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 116.103 -1.903 . . . . 10.0 114.334 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -70.21 -25.12 63.26 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 122.836 2.562 . . . . 10.0 110.117 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.5 mttt -75.93 -40.75 53.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.782 1.633 . . . . 10.0 111.272 169.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -69.33 -33.02 72.5 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.999 1.381 . . . . 10.0 114.373 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 m -65.39 -28.57 69.35 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 129.986 3.314 . . . . 10.0 109.122 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -51.39 61.71 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 118.338 -1.345 . . . . 10.0 109.76 167.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -58.99 -27.27 65.25 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.828 1.251 . . . . 10.0 113.396 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.86 -45.86 56.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.841 2.456 . . . . 10.0 113.548 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.55 -38.3 80.67 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.903 -1.123 . . . . 10.0 111.67 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -62.95 -31.83 73.0 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.188 2.595 . . . . 10.0 111.722 169.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.25 -31.9 68.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.105 0.962 . . . . 10.0 111.884 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.29 63.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 120.116 1.325 . . . . 10.0 109.703 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.59 -38.84 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 121.29 1.859 . . . . 10.0 110.394 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.96 -38.4 82.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.975 1.261 . . . . 10.0 114.023 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 m -55.85 -54.99 37.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.347 1.459 . . . . 10.0 110.652 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -42.42 99.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 129.151 2.98 . . . . 10.0 110.787 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.51 -44.73 70.46 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.999 1.719 . . . . 10.0 111.044 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -57.74 -49.54 76.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.101 0.96 . . . . 10.0 110.22 172.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -51.62 -60.15 3.47 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 117.5 -1.238 . . . . 10.0 108.816 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.4 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 3.3 mm? -64.25 -31.26 72.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 116.547 -1.692 . . . . 10.0 115.257 -169.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.96 -46.35 82.06 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 121.285 1.857 . . . . 10.0 111.199 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -33.57 76.27 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.488 1.144 . . . . 10.0 113.871 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 tp -71.3 -52.58 18.05 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 131.216 3.806 . . . . 10.0 109.596 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 91' ' ' LEU . 52.4 mtmt -61.91 -29.42 70.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.058 0.943 . . . . 10.0 110.474 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -38.07 61.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 117.293 -1.337 . . . . 10.0 113.202 168.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -55.19 -44.3 75.15 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 120.664 1.575 . . . . 10.0 108.008 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.34 -52.37 65.91 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 117.358 -1.306 . . . . 10.0 112.785 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.55 -25.01 50.94 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.328 1.877 . . . . 10.0 114.388 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.68 -45.16 17.61 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.465 1.106 . . . . 10.0 113.719 169.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.23 56.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.968 2.507 . . . . 10.0 112.517 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 N--CA 1.442 -0.859 0 C-N-CA 126.791 2.036 . . . . 10.0 107.948 -169.474 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 117.806 -1.092 . . . . 10.0 112.154 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -51.1 70.86 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 121.08 1.763 . . . . 10.0 110.113 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -65.12 -34.34 78.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 120.632 -0.427 . . . . 10.0 111.13 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.22 -49.35 61.3 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.601 2.36 . . . . 10.0 112.939 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.24 -36.29 34.87 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 119.591 1.087 . . . . 10.0 112.899 -171.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -26.57 67.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.267 1.427 . . . . 10.0 111.0 170.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.1 -38.29 31.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.842 1.257 . . . . 10.0 111.291 169.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.72 -43.33 90.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.89 1.276 . . . . 10.0 111.185 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -48.7 -56.93 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 C-N-CA 125.946 1.698 . . . . 10.0 108.907 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -41.35 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.867 0.867 . . . . 10.0 112.188 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.73 69.8 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.224 -0.923 . . . . 10.0 112.189 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.373 3.1 t60 -72.55 -19.48 61.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.02 1.728 . . . . 10.0 111.965 169.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.14 -41.36 28.72 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.39 -1.444 . . . . 10.0 109.521 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -39.5 90.98 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.954 1.252 . . . . 10.0 111.143 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.22 -23.97 67.5 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.911 -1.118 . . . . 10.0 110.2 168.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -78.0 -41.78 34.74 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.657 -1.163 . . . . 10.0 112.919 173.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.77 -41.83 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 120.522 1.51 . . . . 10.0 110.327 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.9 m -66.37 -39.29 89.03 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 116.665 -1.636 . . . . 10.0 109.535 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.32 79.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 121.063 1.756 . . . . 10.0 111.105 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -62.03 -48.18 81.4 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.851 0.75 . . . . 10.0 110.253 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -29.48 70.5 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.2 2.2 . . . . 10.0 113.166 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -78.27 -41.41 34.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 126.993 2.117 . . . . 10.0 110.194 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.449 0.0 OUTLIER -67.95 -32.84 73.56 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.323 -0.846 . . . . 10.0 111.561 169.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -33.57 75.4 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 119.639 -1.913 . . . . 10.0 113.55 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.03 -24.4 62.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.405 1.082 . . . . 10.0 112.133 170.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.48 -30.87 37.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.457 -1.402 . . . . 10.0 111.84 168.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.09 -37.59 84.21 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.229 -1.544 . . . . 10.0 109.524 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 17.2 tptt -56.76 -36.83 70.25 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 123.724 0.81 . . . . 10.0 110.425 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.95 -39.46 76.04 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 3.2 p -76.24 -21.8 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.741 0.701 . . . . 10.0 112.537 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.54 -37.94 89.29 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 119.928 -1.732 . . . . 10.0 111.73 168.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.8 p -110.25 -24.74 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 117.492 2.405 . . . . 10.0 117.492 -166.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -151.33 72.39 8.39 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.429 0.692 . . . . 10.0 112.007 169.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.2 Cg_endo -59.78 53.74 0.07 OUTLIER 'Trans proline' 0 CA--C 1.544 1.005 1 C-N-CA 127.495 5.463 . . . . 10.0 118.806 -173.354 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.24 151.84 38.37 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 119.919 -1.738 . . . . 10.0 108.65 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -51.95 -33.0 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.6 -42.65 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 CA-C-O 116.336 -1.792 . . . . 10.0 113.575 171.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.34 -23.53 66.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.856 2.571 . . . . 10.0 110.349 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -80.72 -29.91 36.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.504 1.521 . . . . 10.0 112.568 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -80.09 -38.4 31.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.799 1.64 . . . . 10.0 113.826 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -58.84 -29.3 66.82 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 130.4 3.48 . . . . 10.0 108.026 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -54.75 32.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.805 -1.158 . . . . 10.0 111.198 167.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -58.56 -25.54 62.63 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.723 1.609 . . . . 10.0 112.965 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.93 -45.49 50.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.016 2.526 . . . . 10.0 113.603 169.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.1 -40.75 82.55 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.964 1.364 . . . . 10.0 111.847 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -64.06 -29.01 70.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.219 2.608 . . . . 10.0 111.717 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.41 66.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.13 0.972 . . . . 10.0 111.324 169.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.13 72.4 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 119.921 1.237 . . . . 10.0 109.279 168.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.1 t -51.84 -39.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 121.32 1.873 . . . . 10.0 110.778 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 t -67.39 -38.03 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.024 1.284 . . . . 10.0 113.817 174.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.2 m -55.73 -54.91 38.5 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.349 1.46 . . . . 10.0 110.449 169.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.25 -43.12 98.92 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 129.094 2.958 . . . . 10.0 110.939 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.82 -44.55 69.76 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.089 1.756 . . . . 10.0 111.042 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.4 m -58.09 -48.43 80.2 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.701 0.8 . . . . 10.0 110.245 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -53.65 -60.17 3.66 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 116.767 -1.587 . . . . 10.0 109.131 172.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.8 mm? -62.62 -29.08 70.35 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 121.426 1.921 . . . . 10.0 115.049 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.53 -49.91 57.75 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-N 120.884 1.675 . . . . 10.0 110.922 169.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.39 73.9 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.53 1.165 . . . . 10.0 113.836 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.01 -52.17 15.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 130.114 3.366 . . . . 10.0 109.5 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HE3' HD12 ' A' ' 91' ' ' LEU . 65.8 mttt -61.79 -30.16 70.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.407 1.083 . . . . 10.0 110.641 174.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.25 55.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.898 1.679 . . . . 10.0 114.26 169.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.45 -44.67 96.71 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 106.707 -1.59 . . . . 10.0 106.707 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.96 -51.35 68.01 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.385 -1.293 . . . . 10.0 112.281 171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.71 56.25 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 121.385 1.902 . . . . 10.0 114.832 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.75 -46.21 15.82 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.605 1.093 . . . . 10.0 113.625 168.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.4 -53.61 48.79 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 128.309 2.644 . . . . 10.0 112.538 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.442 -0.838 0 C-N-CA 126.854 2.062 . . . . 10.0 107.81 -169.567 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.492 0.182 . . . . 10.0 111.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -128.7 20.38 6.06 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.212 1.405 . . . . 10.0 113.452 -171.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -146.31 173.47 12.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.247 1.819 . . . . 10.0 111.525 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -142.26 165.08 28.42 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.455 1.502 . . . . 10.0 111.802 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -141.37 163.83 31.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.056 1.343 . . . . 10.0 111.924 -172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -135.12 22.8 3.51 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.11 1.364 . . . . 10.0 112.55 -170.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -61.99 158.41 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.14 1.376 . . . . 10.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.93 -179.61 45.62 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.348 1.452 . . . . 10.0 112.519 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.56 147.33 54.49 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.151 1.38 . . . . 10.0 111.929 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.58 166.01 30.36 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.433 2.756 . . . . 10.0 112.514 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.4 154.61 78.35 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.178 0.991 . . . . 10.0 111.616 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.56 170.72 16.85 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.428 2.752 . . . . 10.0 112.748 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -124.76 142.73 41.62 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.686 1.595 . . . . 10.0 109.878 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.96 78.68 1.76 Allowed 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.109 3.206 . . . . 10.0 113.429 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -130.16 24.34 5.23 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.445 2.298 . . . . 10.0 111.366 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.7 mt -54.76 132.81 46.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.651 1.58 . . . . 10.0 112.447 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.61 -167.05 39.75 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.281 1.419 . . . . 10.0 112.223 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.27 123.93 18.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.082 0.953 . . . . 10.0 111.329 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -139.1 5.35 2.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.626 1.17 . . . . 10.0 113.631 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -140.17 155.27 47.01 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.997 1.719 . . . . 10.0 110.955 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.9 p -142.25 173.73 11.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.139 1.375 . . . . 10.0 112.055 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.47 29.14 5.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.629 1.572 . . . . 10.0 111.097 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.43 0.1 13.29 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.11 1.764 . . . . 10.0 114.838 -173.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.3 125.32 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.327 1.451 . . . . 10.0 111.215 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -148.84 154.71 39.88 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.962 1.305 . . . . 10.0 111.981 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -152.46 156.56 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.201 1.8 . . . . 10.0 110.322 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -147.86 145.34 28.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.389 1.076 . . . . 10.0 112.038 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.56 143.36 4.4 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.412 1.958 . . . . 10.0 111.488 173.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -156.41 154.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.855 1.262 . . . . 10.0 111.398 -175.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.99 152.36 87.61 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.314 1.045 . . . . 10.0 112.627 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.03 8.38 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.012 3.141 . . . . 10.0 114.73 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -50.86 -33.77 25.24 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -63.06 -32.02 73.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.319 1.048 . . . . 10.0 113.162 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.385 24.6 ttt -95.37 -16.84 22.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 170.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -62.16 -37.74 86.37 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.469 1.486 . . . . 10.0 107.669 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -63.07 -39.12 93.77 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.142 1.777 . . . . 10.0 112.316 169.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.18 -49.95 72.58 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.556 1.525 . . . . 10.0 110.224 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.22 -34.73 78.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 120.652 -0.419 . . . . 10.0 110.94 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.29 -49.1 65.6 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.059 2.143 . . . . 10.0 112.806 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.5 -34.8 35.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.266 0.939 . . . . 10.0 113.024 -170.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -67.4 -29.24 68.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.27 1.428 . . . . 10.0 110.734 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.48 -37.44 60.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.165 0.986 . . . . 10.0 110.84 168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.43 -43.95 97.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.579 1.152 . . . . 10.0 111.575 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.1 -57.92 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 C-N-CA 125.86 1.664 . . . . 10.0 108.192 169.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.101 0.96 . . . . 10.0 111.885 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 62.99 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.248 -0.908 . . . . 10.0 112.024 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.327 1.9 t60 -69.42 -19.73 63.79 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.181 1.393 . . . . 10.0 111.485 169.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.93 -43.24 25.11 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.04 -1.662 . . . . 10.0 110.162 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -66.15 -36.32 82.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.584 1.538 . . . . 10.0 111.166 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -66.63 -23.83 66.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.09 -1.006 . . . . 10.0 110.263 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.7 tp -79.15 -42.57 25.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.325 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 m -60.66 -41.38 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 120.606 1.548 . . . . 10.0 109.824 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 m -67.39 -40.08 85.64 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 115.936 -1.983 . . . . 10.0 109.067 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.87 75.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.24 2.291 . . . . 10.0 111.466 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.89 -46.42 89.45 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.804 0.729 . . . . 10.0 110.429 169.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.99 -32.72 74.37 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.075 2.15 . . . . 10.0 113.237 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.74 -39.7 64.07 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 125.794 1.638 . . . . 10.0 109.418 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.462 0.0 OUTLIER -67.86 -35.31 78.32 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.552 -0.737 . . . . 10.0 111.426 171.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -32.49 74.06 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.591 -1.943 . . . . 10.0 113.408 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.03 -25.21 61.72 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.772 1.229 . . . . 10.0 112.434 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.73 39.46 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.686 -1.259 . . . . 10.0 111.508 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.83 -39.65 87.71 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.199 -1.563 . . . . 10.0 109.25 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.9 -22.05 61.88 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 124.439 1.096 . . . . 10.0 111.968 169.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.84 -45.91 16.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.0 p -65.25 -19.58 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 120.925 -1.11 . . . . 10.0 111.395 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.02 -48.01 78.02 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.306 -1.496 . . . . 10.0 111.356 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 m -88.66 -36.96 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.447 1.499 . . . . 10.0 113.907 -169.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.78 76.47 7.37 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.636 0.774 . . . . 10.0 111.888 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 7.6 Cg_endo -62.09 54.66 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.99 1 C-N-CA 126.851 5.034 . . . . 10.0 117.723 -175.671 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.32 150.35 38.49 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 120.209 -1.557 . . . . 10.0 108.436 167.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.4 t70 -56.49 -24.94 49.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.791 0.805 . . . . 10.0 113.024 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.62 -41.67 88.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 116.189 -1.862 . . . . 10.0 114.803 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -69.44 -24.9 63.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.805 2.548 . . . . 10.0 109.672 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.8 mttt -77.86 -37.59 47.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.186 1.394 . . . . 10.0 111.395 170.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.2 m -70.98 -35.5 72.13 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.024 1.393 . . . . 10.0 114.103 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.0 m -62.7 -28.7 70.13 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 130.02 3.328 . . . . 10.0 108.626 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -53.3 46.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.102 -1.039 . . . . 10.0 110.614 167.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.81 -26.09 63.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.999 1.32 . . . . 10.0 113.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -72.58 -45.72 57.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.867 2.467 . . . . 10.0 113.414 169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.2 -41.43 81.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.904 1.335 . . . . 10.0 111.733 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.6 -28.02 69.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 128.466 2.706 . . . . 10.0 111.728 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.22 65.48 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.3 1.04 . . . . 10.0 111.494 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.78 75.82 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 119.912 1.233 . . . . 10.0 109.228 168.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.47 -39.8 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 120.901 1.682 . . . . 10.0 110.712 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.8 t -67.97 -38.17 82.41 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.988 1.267 . . . . 10.0 113.847 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.1 m -55.2 -55.2 33.97 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.355 1.462 . . . . 10.0 110.545 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.56 -43.85 97.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 129.262 3.025 . . . . 10.0 111.212 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.38 -43.22 73.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.01 1.724 . . . . 10.0 110.809 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.1 m -57.76 -49.45 76.56 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.756 0.822 . . . . 10.0 110.244 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.01 -60.21 3.57 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-O 116.871 -1.537 . . . . 10.0 109.174 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.428 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.82 -27.64 69.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 120.781 1.628 . . . . 10.0 114.421 -171.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.37 -50.2 51.81 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.788 1.631 . . . . 10.0 110.715 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -31.74 72.96 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -76.05 -52.64 9.76 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.225 3.41 . . . . 10.0 109.859 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HE2' HD12 ' A' ' 91' ' ' LEU . 45.9 mttm -61.89 -29.14 70.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.095 0.958 . . . . 10.0 110.839 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -36.77 61.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 117.162 -1.399 . . . . 10.0 113.07 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -56.33 -45.03 80.54 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.592 1.542 . . . . 10.0 107.76 168.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -58.93 -51.66 69.09 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 117.273 -1.346 . . . . 10.0 112.543 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.58 52.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.473 1.942 . . . . 10.0 114.31 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.75 -45.93 16.25 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.454 1.101 . . . . 10.0 113.649 168.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.0 -53.48 52.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.231 2.612 . . . . 10.0 112.629 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.38 -43.92 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.919 2.088 . . . . 10.0 107.786 -169.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 2.74 0.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.8 2.04 . . . . 10.0 115.237 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -123.15 -14.59 7.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.626 2.37 . . . . 10.0 112.587 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.45 -22.09 66.86 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.815 -1.178 . . . . 10.0 110.156 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -35.65 77.37 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 130.417 3.487 . . . . 10.0 113.595 172.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.82 2.048 . . . . 10.0 112.618 -169.584 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 110.644 -0.132 . . . . 10.0 110.644 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -146.63 167.38 23.91 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.032 1.333 . . . . 10.0 111.602 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -134.25 53.71 1.98 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.59 1.556 . . . . 10.0 111.781 -169.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -62.7 175.14 0.86 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -131.66 -178.82 5.04 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.35 1.86 . . . . 10.0 111.353 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -67.11 170.64 6.64 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.661 1.184 . . . . 10.0 112.673 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -56.97 157.92 5.35 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.986 1.314 . . . . 10.0 113.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.21 -170.83 33.42 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.588 1.089 . . . . 10.0 113.625 -175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -58.02 146.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.838 1.255 . . . . 10.0 112.873 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.17 153.66 20.79 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.675 2.917 . . . . 10.0 114.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.2 pt -138.32 154.26 73.6 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 126.351 1.86 . . . . 10.0 110.484 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.8 157.42 47.78 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.344 2.696 . . . . 10.0 112.723 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -142.72 90.78 7.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.443 1.497 . . . . 10.0 111.536 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.16 -28.6 62.06 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.461 3.44 . . . . 10.0 116.538 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.1 mt 49.79 34.86 8.1 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.093 1.757 . . . . 10.0 114.281 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -138.54 161.7 36.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.414 1.886 . . . . 10.0 111.236 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.97 -178.03 44.52 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.842 1.211 . . . . 10.0 113.532 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -148.28 150.32 33.45 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.624 1.569 . . . . 10.0 111.051 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -149.7 150.69 32.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.583 1.553 . . . . 10.0 111.097 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -154.77 168.07 28.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.775 1.23 . . . . 10.0 113.046 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.4 m -140.16 146.44 38.78 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.764 1.626 . . . . 10.0 110.12 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.8 159.72 21.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.99 0.916 . . . . 10.0 112.703 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -148.47 174.99 11.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.609 1.164 . . . . 10.0 112.935 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.63 46.32 1.59 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.511 1.524 . . . . 10.0 110.06 171.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.65 -10.42 52.09 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.036 1.495 . . . . 10.0 115.036 -175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.03 132.58 53.32 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.182 0.993 . . . . 10.0 112.827 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -155.18 143.5 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.638 1.575 . . . . 10.0 109.998 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.37 -162.7 36.49 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.051 0.834 . . . . 10.0 113.571 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.2 pt -116.51 171.03 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.76 1.624 . . . . 10.0 111.009 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -56.65 131.72 77.86 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.972 0.909 . . . . 10.0 113.135 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -81.22 -130.1 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.254 0 C-N-CA 124.595 3.53 . . . . 10.0 110.122 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 64.02 15.19 9.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.1 1.76 . . . . 10.0 115.218 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.1 p -57.47 -39.37 76.23 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.671 -1.268 . . . . 10.0 112.387 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.379 27.6 ttt -83.47 -11.01 57.99 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.279 1.215 . . . . 10.0 114.279 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -70.27 -39.44 74.95 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.835 -1.791 . . . . 10.0 107.182 167.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -34.25 77.38 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.792 1.237 . . . . 10.0 111.811 168.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.21 -51.2 70.76 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.608 1.549 . . . . 10.0 109.547 169.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.24 -29.07 68.61 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 120.077 -0.649 . . . . 10.0 111.384 -169.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -71.72 -47.12 56.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.606 2.762 . . . . 10.0 113.902 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -36.35 31.07 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.609 1.163 . . . . 10.0 113.399 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -26.15 67.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.803 1.641 . . . . 10.0 110.486 170.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -79.74 -36.4 37.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.759 1.224 . . . . 10.0 111.269 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -62.05 -41.83 98.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.8 0.84 . . . . 10.0 111.557 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.17 -56.2 4.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 125.911 1.684 . . . . 10.0 107.734 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -66.79 -40.39 88.11 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.282 1.033 . . . . 10.0 112.44 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.73 60.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.714 1.143 . . . . 10.0 112.352 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.297 2.1 t60 -70.06 -20.6 63.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.601 1.16 . . . . 10.0 111.041 169.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.71 -43.2 38.45 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 120.285 -1.509 . . . . 10.0 109.761 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.46 -39.24 91.77 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.339 1.427 . . . . 10.0 111.123 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.56 -24.62 67.66 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.96 -1.088 . . . . 10.0 110.258 168.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.76 -41.4 37.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.589 -1.196 . . . . 10.0 113.335 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -61.46 -40.91 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.844 1.657 . . . . 10.0 110.042 169.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -66.28 -42.14 88.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 116.419 -1.753 . . . . 10.0 108.693 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.98 -34.56 74.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 121.86 2.118 . . . . 10.0 111.546 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -46.07 90.65 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 118.623 0.647 . . . . 10.0 110.434 169.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.28 -34.74 79.07 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.736 2.014 . . . . 10.0 112.924 177.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -71.83 -39.32 69.87 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.35 1.46 . . . . 10.0 109.371 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.453 0.0 OUTLIER -68.89 -35.47 76.9 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 118.447 -0.787 . . . . 10.0 111.631 172.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.4 74.01 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.604 -1.935 . . . . 10.0 113.207 169.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.81 -25.31 61.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.853 1.261 . . . . 10.0 112.39 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 -30.69 38.58 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.768 -1.207 . . . . 10.0 111.718 169.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.64 -39.55 88.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.18 -1.575 . . . . 10.0 109.215 168.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -60.13 -21.55 61.73 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.635 1.174 . . . . 10.0 111.974 169.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.24 15.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.2 1.556 . . . . 10.0 115.2 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.336 2.9 p -65.27 -19.57 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.033 -1.042 . . . . 10.0 111.449 169.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.92 -47.9 78.71 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.408 -1.432 . . . . 10.0 111.34 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -88.42 -37.39 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.298 1.439 . . . . 10.0 113.844 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.22 78.02 6.61 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.526 0.73 . . . . 10.0 111.374 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.6 Cg_endo -61.39 53.84 0.1 Allowed 'Trans proline' 0 CA--C 1.546 1.094 1 C-N-CA 126.942 5.095 . . . . 10.0 117.581 -176.276 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.421 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.3 m-20 -74.48 148.72 40.77 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.343 -1.473 . . . . 10.0 108.487 167.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 80.0 m-20 -57.56 -23.4 50.35 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.05 -41.32 87.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 CA-C-O 116.104 -1.903 . . . . 10.0 114.443 169.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.39 -26.0 64.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.857 2.571 . . . . 10.0 109.729 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -76.5 -36.15 57.96 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.469 1.508 . . . . 10.0 111.809 169.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 m -73.74 -35.27 65.03 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 122.993 1.378 . . . . 10.0 114.036 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.3 m -62.44 -28.91 70.13 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 130.3 3.44 . . . . 10.0 108.314 168.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -53.59 44.47 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.166 -1.014 . . . . 10.0 110.812 167.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -59.18 -24.97 63.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.109 1.364 . . . . 10.0 113.076 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -73.92 -45.49 50.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.021 2.528 . . . . 10.0 113.492 169.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.19 -41.52 81.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.745 1.259 . . . . 10.0 111.667 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -63.91 -26.66 68.7 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.548 2.739 . . . . 10.0 111.69 169.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.22 65.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.111 0.964 . . . . 10.0 111.243 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.7 83.64 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 120.554 1.524 . . . . 10.0 109.586 168.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.1 t -51.32 -39.16 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 120.832 1.651 . . . . 10.0 110.397 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -69.03 -36.94 78.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.292 1.405 . . . . 10.0 113.747 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -55.89 -54.6 42.71 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.042 1.337 . . . . 10.0 110.248 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.23 -42.37 99.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.081 2.952 . . . . 10.0 111.161 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.23 -41.85 66.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.192 1.797 . . . . 10.0 111.01 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -47.95 81.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.674 0.789 . . . . 10.0 110.112 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.19 -60.36 3.5 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 116.45 -1.738 . . . . 10.0 109.149 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD11 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.84 -28.38 69.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 121.973 2.169 . . . . 10.0 114.361 -172.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.92 -51.36 51.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 120.595 1.543 . . . . 10.0 110.77 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.68 80.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.897 1.348 . . . . 10.0 113.628 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.13 -51.9 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 129.889 3.276 . . . . 10.0 109.794 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HE3' HD11 ' A' ' 91' ' ' LEU . 74.0 mttt -63.86 -30.19 71.3 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.128 0.971 . . . . 10.0 110.689 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -36.58 63.96 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 117.394 -1.289 . . . . 10.0 112.865 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -56.32 -45.1 80.46 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 120.276 1.398 . . . . 10.0 107.76 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.76 -51.22 70.45 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 117.412 -1.28 . . . . 10.0 112.47 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.37 58.58 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 121.463 1.938 . . . . 10.0 114.758 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.43 -43.89 20.21 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.429 1.013 . . . . 10.0 113.544 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.32 -53.17 59.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.144 2.578 . . . . 10.0 112.714 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.8 -43.93 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 126.989 2.116 . . . . 10.0 107.849 -169.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.66 6.14 0.37 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.698 1.999 . . . . 10.0 115.083 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.34 -14.26 5.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.383 2.273 . . . . 10.0 113.206 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -27.13 68.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.943 -1.098 . . . . 10.0 110.892 169.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -71.57 -24.02 61.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 129.111 2.964 . . . . 10.0 114.212 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.648 1.979 . . . . 10.0 112.619 -171.058 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.92 -18.77 0.66 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.514 1.301 . . . . 10.0 114.514 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -151.29 149.04 28.91 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.019 1.327 . . . . 10.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -144.94 164.06 32.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.667 1.587 . . . . 10.0 111.438 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -145.06 139.4 27.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.044 1.337 . . . . 10.0 110.761 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -148.64 5.09 0.69 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.81 133.25 48.89 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.939 -1.1 . . . . 10.0 111.148 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.3 -166.76 37.91 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.62 1.105 . . . . 10.0 112.911 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -135.24 148.42 66.32 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 125.932 1.693 . . . . 10.0 111.062 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.32 -22.45 9.6 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.974 2.45 . . . . 10.0 114.096 -174.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -66.62 139.13 95.82 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.169 0.987 . . . . 10.0 112.418 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.11 162.84 3.73 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.776 3.65 . . . . 10.0 114.776 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.14 137.8 13.65 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.089 1.356 . . . . 10.0 110.202 174.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.25 165.11 33.6 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.959 2.44 . . . . 10.0 112.944 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -142.99 -47.69 0.32 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.704 1.602 . . . . 10.0 111.419 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.86 151.64 46.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.842 1.257 . . . . 10.0 111.248 170.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.32 -13.82 0.03 OUTLIER Glycine 0 CA--C 1.538 1.5 0 N-CA-C 117.206 1.642 . . . . 10.0 117.206 176.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -148.04 155.44 41.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.373 1.587 . . . . 10.0 111.748 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.85 163.59 9.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.186 1.394 . . . . 10.0 113.55 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -140.82 20.38 2.32 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.006 1.322 . . . . 10.0 114.146 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -141.42 168.63 19.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.235 . . . . 10.0 113.043 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -152.6 158.04 41.88 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.948 2.099 . . . . 10.0 110.322 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -134.1 -19.3 1.99 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.635 1.574 . . . . 10.0 113.31 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.26 115.39 17.95 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.426 1.012 . . . . 10.0 110.906 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.7 142.37 31.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.248 1.419 . . . . 10.0 111.161 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -161.99 178.25 9.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.366 1.867 . . . . 10.0 111.18 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -142.28 150.32 40.71 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 10.0 111.109 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.07 42.93 0.25 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.536 1.065 . . . . 10.0 113.74 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.8 tp -145.39 159.03 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.609 1.564 . . . . 10.0 111.388 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -141.39 153.74 66.28 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 126.33 1.852 . . . . 10.0 112.845 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -80.31 168.75 18.11 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.976 2.45 . . . . 10.0 114.285 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.85 6.69 0.46 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.468 1.907 . . . . 10.0 115.425 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 t -52.96 -33.14 49.83 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.767 -1.208 . . . . 10.0 113.42 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.384 27.7 ttt -89.2 -15.24 34.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -65.5 -38.91 91.11 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.232 -1.542 . . . . 10.0 107.319 167.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -37.85 88.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.326 1.45 . . . . 10.0 112.34 169.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -56.24 -49.83 73.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.833 1.651 . . . . 10.0 110.266 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -65.84 -32.88 74.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 120.375 -0.53 . . . . 10.0 111.53 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.48 -46.86 58.74 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.266 2.226 . . . . 10.0 112.938 169.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -35.54 34.88 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 119.689 1.132 . . . . 10.0 113.178 -171.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.97 -28.63 68.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.98 1.312 . . . . 10.0 110.482 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.89 -39.03 61.71 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.783 1.233 . . . . 10.0 111.153 168.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.22 -42.94 99.48 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.571 1.149 . . . . 10.0 111.407 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.84 -57.41 2.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 125.774 1.629 . . . . 10.0 108.494 169.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -36.03 78.34 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.42 0.688 . . . . 10.0 112.429 -173.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -39.79 48.08 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 120.738 -1.226 . . . . 10.0 112.456 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.292 2.1 t60 -70.26 -21.8 62.94 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.993 1.317 . . . . 10.0 110.622 169.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 -44.13 41.78 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.203 -1.561 . . . . 10.0 109.863 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.71 -38.92 90.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.507 1.503 . . . . 10.0 111.301 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.18 -26.07 68.36 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.346 -0.846 . . . . 10.0 110.283 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.6 tp -74.2 -48.13 31.0 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.156 -0.926 . . . . 10.0 112.853 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -59.34 -38.54 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 120.983 1.72 . . . . 10.0 110.297 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -67.45 -39.73 85.38 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 115.984 -1.96 . . . . 10.0 110.182 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.49 81.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.514 1.961 . . . . 10.0 111.317 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -49.04 76.66 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.71 0.686 . . . . 10.0 109.778 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -33.97 70.72 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.144 1.778 . . . . 10.0 112.543 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -75.24 -42.04 56.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 128.275 2.63 . . . . 10.0 110.968 177.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.441 0.0 OUTLIER -66.52 -33.53 75.89 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.501 -0.761 . . . . 10.0 111.097 170.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -67.87 -34.38 76.57 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 119.722 -1.861 . . . . 10.0 113.493 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.87 -24.34 65.23 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.679 1.127 . . . . 10.0 111.947 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.61 -30.2 36.79 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.505 -1.372 . . . . 10.0 111.748 168.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.57 -37.97 86.07 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.136 -1.603 . . . . 10.0 109.509 169.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 15.2 tptt -57.22 -36.61 71.1 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.3 1.04 . . . . 10.0 110.395 169.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.51 75.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.317 3.4 p -76.13 -21.57 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 O-C-N 121.435 -0.791 . . . . 10.0 112.497 169.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.78 -37.41 87.53 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.932 -1.73 . . . . 10.0 111.83 168.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.7 p -111.2 -24.51 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 117.386 2.365 . . . . 10.0 117.386 -166.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -150.75 71.63 8.84 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.435 0.694 . . . . 10.0 112.194 169.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.277 4.6 Cg_endo -59.83 53.09 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 1 C-N-CA 127.376 5.384 . . . . 10.0 118.972 -173.189 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.99 150.58 38.94 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 119.834 -1.791 . . . . 10.0 108.93 167.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 31.2 t70 -56.41 -25.77 51.2 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.096 0.95 . . . . 10.0 113.082 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -40.92 88.18 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 CA-C-O 116.148 -1.882 . . . . 10.0 114.521 169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -68.83 -24.46 64.38 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 122.813 2.551 . . . . 10.0 109.919 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.9 mttt -79.71 -29.9 40.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.661 1.584 . . . . 10.0 112.334 171.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -80.08 -35.8 36.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 123.17 1.462 . . . . 10.0 113.972 172.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.0 m -61.36 -28.84 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.06 3.344 . . . . 10.0 108.108 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -53.76 47.63 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.082 -1.047 . . . . 10.0 111.156 168.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -59.81 -25.84 65.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.708 1.603 . . . . 10.0 112.61 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -72.81 -46.0 55.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.999 2.519 . . . . 10.0 113.171 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.34 -40.99 81.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.894 1.331 . . . . 10.0 111.988 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.92 -29.27 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 128.343 2.657 . . . . 10.0 111.705 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.34 -32.23 66.33 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.305 1.042 . . . . 10.0 111.402 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.09 -48.15 71.91 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.975 1.261 . . . . 10.0 109.284 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.61 -40.16 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 121.138 1.79 . . . . 10.0 110.482 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -67.79 -37.69 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.182 1.355 . . . . 10.0 113.973 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.5 m -55.71 -55.51 31.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.354 1.462 . . . . 10.0 110.548 169.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.51 -43.13 99.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 129.323 3.049 . . . . 10.0 111.202 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.56 -42.71 70.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.178 1.791 . . . . 10.0 110.814 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -57.9 -48.98 78.29 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.749 0.82 . . . . 10.0 110.12 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.31 -60.34 3.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.018 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 HD13 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.33 -29.03 70.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.602 2.001 . . . . 10.0 114.573 -171.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.01 -51.06 54.58 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 120.776 1.625 . . . . 10.0 111.086 169.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -33.07 74.46 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.458 1.129 . . . . 10.0 113.69 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.29 -51.95 15.72 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 129.874 3.27 . . . . 10.0 109.912 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HE3' HD13 ' A' ' 91' ' ' LEU . 72.6 mttt -62.29 -30.94 71.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.071 . . . . 10.0 110.732 174.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -35.85 63.38 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 117.485 -1.245 . . . . 10.0 113.147 169.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.32 -44.61 84.33 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.586 1.539 . . . . 10.0 107.788 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.74 -51.84 67.9 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.637 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.29 -24.76 57.03 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.455 1.934 . . . . 10.0 114.446 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -80.53 -44.8 18.49 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.589 1.086 . . . . 10.0 113.732 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.84 -53.25 57.8 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.247 2.619 . . . . 10.0 112.84 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.34 -43.81 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 126.752 2.021 . . . . 10.0 107.905 -169.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.44 5.63 0.39 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.165 2.186 . . . . 10.0 115.205 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.15 -24.38 4.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.55 2.34 . . . . 10.0 112.929 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -27.99 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.948 1.299 . . . . 10.0 111.977 169.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.67 -18.42 62.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 128.736 2.814 . . . . 10.0 114.88 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.089 1.755 . . . . 10.0 113.28 -169.289 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.333 0.111 . . . . 10.0 111.287 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -67.52 154.63 40.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.977 0.911 . . . . 10.0 113.343 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.29 126.05 24.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.365 1.066 . . . . 10.0 111.773 172.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.23 -21.2 62.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -140.38 142.54 35.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.931 1.692 . . . . 10.0 110.098 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -161.28 168.63 23.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.863 1.265 . . . . 10.0 112.309 -172.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.45 160.02 40.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.216 1.806 . . . . 10.0 110.405 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.48 175.77 46.58 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.656 -0.652 . . . . 10.0 114.637 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 158.38 50.36 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 128.098 2.559 . . . . 10.0 109.602 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.08 51.22 3.58 Favored 'Trans proline' 0 CA--C 1.551 1.349 0 C-N-CA 124.582 3.521 . . . . 10.0 113.208 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.4 pt -136.02 157.01 76.68 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 127.206 2.202 . . . . 10.0 110.699 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.28 166.95 26.55 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.201 2.601 . . . . 10.0 112.489 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -137.28 136.89 21.25 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.312 1.445 . . . . 10.0 110.441 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -71.1 142.91 43.15 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 122.69 2.26 . . . . 10.0 112.983 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.46 172.93 17.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.292 1.837 . . . . 10.0 111.023 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.35 30.22 9.91 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.543 1.537 . . . . 10.0 113.729 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.36 28.04 0.15 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.325 0.964 . . . . 10.0 114.871 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.36 2.98 10.3 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.511 1.524 . . . . 10.0 113.272 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -141.78 15.25 2.13 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.858 1.663 . . . . 10.0 112.378 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -62.77 151.84 37.52 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.578 1.551 . . . . 10.0 113.395 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -140.94 163.27 33.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.959 1.704 . . . . 10.0 111.466 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.39 149.57 29.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.74 1.216 . . . . 10.0 111.208 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -153.66 162.88 40.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.639 1.176 . . . . 10.0 112.554 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 tp -152.86 151.82 30.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.27 1.428 . . . . 10.0 110.819 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -65.51 161.51 19.97 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.736 1.214 . . . . 10.0 112.899 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.27 118.08 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.847 0.859 . . . . 10.0 111.821 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -75.16 127.46 33.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.1 0.96 . . . . 10.0 111.033 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.96 -168.15 39.89 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.352 0.977 . . . . 10.0 113.5 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 pt -131.93 156.96 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.95 1.7 . . . . 10.0 111.048 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -69.33 126.19 92.5 Favored Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -92.27 -4.67 3.63 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.858 3.038 . . . . 10.0 115.187 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -40.64 -42.55 1.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 118.019 2.6 . . . . 10.0 118.019 -168.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.4 t -63.68 -34.81 78.68 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.832 1.196 . . . . 10.0 113.447 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.394 24.1 ttt -93.2 -15.63 25.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.23 0.923 . . . . 10.0 113.367 170.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 m -64.16 -37.16 86.46 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.17 -1.581 . . . . 10.0 107.812 167.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -37.62 88.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.626 1.57 . . . . 10.0 111.806 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.31 -52.94 62.68 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.217 1.371 . . . . 10.0 109.162 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.97 -36.17 79.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.688 -0.805 . . . . 10.0 111.389 -170.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -62.65 -43.71 98.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.046 2.138 . . . . 10.0 113.648 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.81 -36.31 31.86 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 121.141 -0.974 . . . . 10.0 112.757 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -24.55 65.17 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.136 2.175 . . . . 10.0 110.112 170.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.19 -39.48 29.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.512 1.525 . . . . 10.0 110.76 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.05 -41.95 93.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.355 1.062 . . . . 10.0 111.439 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -57.99 2.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 125.517 1.527 . . . . 10.0 108.24 169.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -36.63 79.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.956 0.502 . . . . 10.0 112.22 -172.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.97 52.96 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.587 1.085 . . . . 10.0 112.336 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.316 2.1 t60 -69.84 -20.33 63.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.45 1.1 . . . . 10.0 110.948 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.79 -44.13 33.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.191 -1.568 . . . . 10.0 109.484 168.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.26 -37.15 84.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.952 1.705 . . . . 10.0 111.503 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -65.45 -25.62 67.59 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.158 -0.964 . . . . 10.0 110.128 168.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 tp -76.6 -43.44 38.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.11 0.868 . . . . 10.0 113.154 173.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.86 -38.83 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 CA-C-N 120.514 1.506 . . . . 10.0 110.501 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.0 m -68.29 -34.09 75.52 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 116.097 -1.906 . . . . 10.0 110.289 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.47 81.22 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.508 1.958 . . . . 10.0 110.987 169.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.67 -44.77 92.77 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.108 0.867 . . . . 10.0 110.664 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -31.75 72.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.19 2.196 . . . . 10.0 112.549 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -73.59 -40.91 63.52 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.784 2.033 . . . . 10.0 110.025 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.3 OUTLIER -65.99 -35.66 81.19 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 118.676 -0.678 . . . . 10.0 111.571 170.338 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.73 72.96 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.755 -1.841 . . . . 10.0 112.542 171.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.78 -23.37 62.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.182 0.993 . . . . 10.0 112.29 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 -33.11 38.99 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.551 -1.343 . . . . 10.0 112.029 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.5 -38.27 86.87 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.303 -1.498 . . . . 10.0 109.812 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HE3' HG11 ' A' ' 67' ' ' VAL . 9.9 tptt -60.52 -20.88 61.62 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 124.745 1.218 . . . . 10.0 112.258 169.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.15 13.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.34 3.4 p -65.23 -19.61 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.955 -1.091 . . . . 10.0 111.383 169.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.68 -48.0 78.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.668 1.587 . . . . 10.0 111.545 167.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG11 ' HE3' ' A' ' 63' ' ' LYS . 19.5 m -88.9 -37.67 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.531 1.532 . . . . 10.0 113.91 -169.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -152.34 78.34 6.43 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.471 0.708 . . . . 10.0 111.199 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 6.0 Cg_endo -61.13 55.17 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.032 1 C-N-CA 127.006 5.138 . . . . 10.0 117.433 -176.186 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -75.47 149.21 38.54 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 120.356 -1.465 . . . . 10.0 108.68 167.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.5 t70 -56.6 -25.25 52.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.24 -41.44 89.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 CA-C-O 116.193 -1.861 . . . . 10.0 114.695 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.2 -24.47 63.12 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 122.694 2.497 . . . . 10.0 109.558 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.7 mttt -77.98 -40.6 38.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.248 1.419 . . . . 10.0 111.047 170.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -33.2 74.72 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 122.91 1.338 . . . . 10.0 114.198 172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -65.97 -29.3 69.67 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 129.992 3.317 . . . . 10.0 108.866 169.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -51.53 57.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 118.701 -1.2 . . . . 10.0 109.583 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.81 -25.26 60.35 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.607 1.163 . . . . 10.0 113.815 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -76.33 -45.18 33.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.089 2.556 . . . . 10.0 113.73 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.44 -39.4 85.4 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.824 -1.173 . . . . 10.0 111.135 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.1 ttt-85 -62.76 -28.68 70.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.478 2.711 . . . . 10.0 111.935 169.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.55 68.33 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.247 -0.883 . . . . 10.0 111.505 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.92 76.18 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 120.518 1.508 . . . . 10.0 110.024 168.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.0 -38.83 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.631 1.56 . . . . 10.0 109.825 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 t -68.76 -38.28 79.98 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 120.534 1.515 . . . . 10.0 113.977 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.5 m -54.77 -55.25 32.08 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.138 1.375 . . . . 10.0 110.352 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -43.98 97.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.226 3.011 . . . . 10.0 111.066 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -70.71 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.318 1.847 . . . . 10.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 m -58.37 -49.84 75.81 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.789 0.722 . . . . 10.0 110.117 171.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -52.57 -60.02 3.75 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-O 116.486 -1.721 . . . . 10.0 109.088 173.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.7 -29.77 70.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 116.705 -1.617 . . . . 10.0 114.452 -171.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.98 73.2 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.713 1.597 . . . . 10.0 110.595 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -27.41 66.15 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -76.66 -49.16 16.85 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 127.941 2.496 . . . . 10.0 108.763 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -64.33 -31.32 72.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.297 1.039 . . . . 10.0 110.62 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -38.42 65.06 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.533 -1.222 . . . . 10.0 112.928 169.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.54 -48.29 69.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 106.93 -1.507 . . . . 10.0 106.93 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.04 -50.77 71.73 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 117.938 -1.03 . . . . 10.0 111.743 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.13 58.55 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.751 1.614 . . . . 10.0 114.882 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.13 -41.29 25.74 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.957 1.095 . . . . 10.0 113.957 170.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.36 -53.45 56.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.824 2.45 . . . . 10.0 112.097 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.59 -44.83 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 C-N-CA 127.137 2.175 . . . . 10.0 107.733 -169.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.15 8.31 0.59 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.086 1.754 . . . . 10.0 115.12 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.01 -17.93 5.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.976 2.111 . . . . 10.0 112.664 170.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -18.35 60.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.884 1.274 . . . . 10.0 111.638 169.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -84.31 -14.06 50.74 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.343 3.057 . . . . 10.0 113.973 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.255 0 C-N-CA 126.338 1.855 . . . . 10.0 112.17 -169.902 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.023 -0.036 . . . . 10.0 111.028 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -133.13 -0.93 3.3 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.95 153.44 43.58 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.504 1.122 . . . . 10.0 113.268 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -137.62 -2.23 1.98 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.711 1.204 . . . . 10.0 113.622 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -157.35 168.32 27.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.102 1.761 . . . . 10.0 111.181 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -69.1 155.54 40.2 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.846 0.859 . . . . 10.0 111.891 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 49.2 -154.47 0.1 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.749 1.62 . . . . 10.0 114.266 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.81 166.68 35.07 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.827 1.203 . . . . 10.0 113.473 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -143.35 156.3 60.79 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.696 1.998 . . . . 10.0 110.935 -176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -51.61 147.03 24.72 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.557 2.838 . . . . 10.0 113.652 170.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.89 155.14 73.19 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.629 1.572 . . . . 10.0 112.002 -176.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.1 162.43 40.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.653 2.902 . . . . 10.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -150.42 158.79 35.74 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.064 1.346 . . . . 10.0 111.273 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.65 -7.43 20.17 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.019 2.479 . . . . 10.0 114.948 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.03 -6.72 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.339 1.056 . . . . 10.0 113.377 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.96 137.94 57.68 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.344 1.058 . . . . 10.0 111.553 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.58 52.58 0.07 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.409 0.528 . . . . 10.0 113.964 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -53.27 127.58 25.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.049 1.34 . . . . 10.0 112.557 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.97 141.28 58.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.89 1.276 . . . . 10.0 113.112 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -151.15 -14.78 0.21 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 p -74.09 146.21 43.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.544 1.066 . . . . 10.0 113.098 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.42 155.02 40.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.914 0.886 . . . . 10.0 112.487 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.96 50.41 1.2 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.432 1.493 . . . . 10.0 112.324 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.0 tp -145.29 148.87 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.367 1.467 . . . . 10.0 111.83 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -149.82 151.11 32.99 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.783 1.633 . . . . 10.0 110.948 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -76.93 69.64 3.26 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.901 1.28 . . . . 10.0 111.724 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.94 -26.58 68.27 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.432 1.493 . . . . 10.0 114.587 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.54 -178.38 45.49 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.01 1.29 . . . . 10.0 113.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.4 pt -71.94 170.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.636 0.775 . . . . 10.0 112.491 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.04 142.55 89.17 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 121.325 -0.859 . . . . 10.0 112.307 172.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.23 -3.7 14.23 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.336 2.69 . . . . 10.0 114.864 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.41 -23.61 57.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.871 1.268 . . . . 10.0 114.199 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.4 p -55.15 -34.9 64.19 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.164 -0.96 . . . . 10.0 112.357 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.377 28.4 ttt -85.47 -14.21 46.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.283 1.216 . . . . 10.0 114.283 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -67.17 -40.05 86.54 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 119.978 -1.701 . . . . 10.0 107.619 167.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -37.51 87.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.829 1.252 . . . . 10.0 112.385 169.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.64 -49.85 73.79 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.571 1.532 . . . . 10.0 110.334 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.15 -31.82 72.89 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.515 -169.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.59 -47.35 55.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.221 2.208 . . . . 10.0 112.963 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -36.52 33.45 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.562 1.074 . . . . 10.0 113.157 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -66.56 -25.78 66.81 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.494 1.518 . . . . 10.0 110.814 170.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -79.83 -37.64 34.63 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.387 1.075 . . . . 10.0 110.924 168.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.85 -42.65 94.09 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.685 1.194 . . . . 10.0 111.533 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -56.96 3.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 C-N-CA 125.835 1.654 . . . . 10.0 108.247 169.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -35.34 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.009 0.924 . . . . 10.0 112.676 -172.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.03 -39.03 51.63 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.841 -1.162 . . . . 10.0 112.151 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.379 3.1 t60 -72.37 -19.31 61.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.454 1.501 . . . . 10.0 111.512 169.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 -41.33 28.97 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 120.347 -1.471 . . . . 10.0 108.945 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.65 -40.23 95.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.28 1.4 . . . . 10.0 111.475 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.59 -22.98 67.11 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 120.943 -1.098 . . . . 10.0 110.503 168.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.68 -41.57 30.81 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 117.564 -1.207 . . . . 10.0 112.742 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -60.93 -41.91 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 120.627 1.558 . . . . 10.0 110.187 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 m -65.63 -42.16 91.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-O 116.695 -1.621 . . . . 10.0 108.526 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.23 76.52 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 121.592 1.996 . . . . 10.0 111.617 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -61.28 -45.56 93.97 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.701 0.682 . . . . 10.0 110.405 169.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.68 -33.47 75.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.836 2.055 . . . . 10.0 113.331 177.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -72.16 -38.89 69.05 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.202 1.401 . . . . 10.0 109.327 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.461 0.0 OUTLIER -69.29 -35.15 75.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.428 -0.796 . . . . 10.0 111.63 172.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -32.99 74.86 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 119.634 -1.916 . . . . 10.0 113.307 169.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.12 -25.35 62.55 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.756 1.223 . . . . 10.0 112.438 171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 -31.03 39.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.828 -1.17 . . . . 10.0 111.884 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.61 -39.73 88.48 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.175 -1.578 . . . . 10.0 109.44 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.8 tptt -59.93 -21.57 61.29 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 124.592 1.157 . . . . 10.0 112.155 169.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 -46.6 14.8 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.263 1.579 . . . . 10.0 115.263 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.332 2.9 p -64.94 -19.66 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 121.001 -1.062 . . . . 10.0 111.346 169.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.97 -48.89 74.66 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.364 -1.46 . . . . 10.0 111.382 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.403 HG13 ' HE3' ' A' ' 63' ' ' LYS . 19.0 m -87.02 -37.89 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.279 1.432 . . . . 10.0 113.972 -169.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.19 78.51 6.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.453 0.701 . . . . 10.0 111.045 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.268 5.8 Cg_endo -60.58 54.75 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 1 C-N-CA 127.005 5.136 . . . . 10.0 117.522 -176.599 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.421 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.3 m-20 -74.21 147.7 42.25 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 120.292 -1.505 . . . . 10.0 108.602 167.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.79 -24.03 55.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.051 0.759 . . . . 10.0 113.051 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.04 -40.85 86.37 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.229 0 CA-C-O 116.198 -1.858 . . . . 10.0 114.354 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -69.03 -25.99 64.76 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 122.854 2.57 . . . . 10.0 109.682 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.0 mttt -76.98 -36.77 56.21 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.628 1.571 . . . . 10.0 111.706 170.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -72.88 -35.19 67.09 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 122.986 1.374 . . . . 10.0 114.013 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 m -62.77 -28.88 70.29 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 130.243 3.417 . . . . 10.0 108.464 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -53.51 45.62 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 119.003 -1.079 . . . . 10.0 110.64 167.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -58.62 -26.87 64.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.935 1.294 . . . . 10.0 113.107 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -72.22 -45.55 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.983 2.513 . . . . 10.0 113.455 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.29 -40.76 81.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.657 1.218 . . . . 10.0 111.816 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -64.11 -27.37 69.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.516 2.726 . . . . 10.0 111.745 169.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.75 63.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.555 1.142 . . . . 10.0 111.619 169.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.21 75.36 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 120.178 1.354 . . . . 10.0 108.981 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.77 -39.51 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 120.844 1.656 . . . . 10.0 110.578 172.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -67.86 -36.71 80.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.228 1.376 . . . . 10.0 113.95 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -56.87 -55.09 38.93 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.125 1.37 . . . . 10.0 110.443 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.0 -42.14 98.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 129.029 2.932 . . . . 10.0 110.763 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.55 -43.07 70.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.151 1.78 . . . . 10.0 111.069 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 m -58.25 -49.17 78.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.942 0.897 . . . . 10.0 110.178 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.65 -60.26 3.54 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 117.058 -1.448 . . . . 10.0 108.913 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.16 -27.37 69.33 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 121.532 1.969 . . . . 10.0 114.752 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.55 -50.06 51.79 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 121.027 1.739 . . . . 10.0 111.013 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -34.13 76.97 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.125 0.963 . . . . 10.0 113.571 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.66 -53.3 12.15 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 130.852 3.661 . . . . 10.0 110.312 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 91' ' ' LEU . 41.0 mttm -60.98 -28.77 69.25 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.069 0.948 . . . . 10.0 110.502 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -38.07 59.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.362 1.465 . . . . 10.0 113.447 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -55.7 -43.52 76.53 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 120.562 1.528 . . . . 10.0 107.84 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.58 -52.6 64.99 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.407 -1.282 . . . . 10.0 113.013 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.29 -25.1 47.22 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 121.387 1.903 . . . . 10.0 114.309 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.58 -45.16 17.81 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.538 1.135 . . . . 10.0 113.694 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.31 -53.11 58.28 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.168 2.587 . . . . 10.0 112.725 174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.15 -44.34 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 C-N-CA 126.849 2.059 . . . . 10.0 107.78 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.63 6.31 0.34 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.987 2.115 . . . . 10.0 115.217 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.76 -12.57 4.8 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.431 2.293 . . . . 10.0 113.141 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.96 -24.14 67.43 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.919 -1.113 . . . . 10.0 110.752 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -75.82 -13.93 60.29 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 129.772 3.229 . . . . 10.0 114.713 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.464 1.906 . . . . 10.0 113.263 -169.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.52 0.193 . . . . 10.0 111.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 162.4 17.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.667 0.787 . . . . 10.0 112.979 169.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -142.86 147.34 35.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.037 1.335 . . . . 10.0 110.238 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -149.58 174.23 12.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.88 1.672 . . . . 10.0 111.051 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -127.18 104.18 7.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.871 1.268 . . . . 10.0 110.667 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -56.73 -27.06 58.6 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.064 1.346 . . . . 10.0 114.226 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.88 -28.03 68.58 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.24 1.416 . . . . 10.0 113.661 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.83 1.67 42.61 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.24 1.4 . . . . 10.0 114.453 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -58.51 150.28 56.71 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.92 1.288 . . . . 10.0 112.245 173.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.73 158.39 53.8 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.876 2.384 . . . . 10.0 112.693 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -157.74 139.9 10.28 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 125.766 1.626 . . . . 10.0 109.914 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.1 140.7 73.19 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.031 2.487 . . . . 10.0 110.982 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -61.29 127.63 88.48 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.246 0.618 . . . . 10.0 111.812 -174.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.0 -11.6 16.41 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.623 2.882 . . . . 10.0 114.645 -175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 tp 48.4 34.19 4.52 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.791 2.036 . . . . 10.0 113.707 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -150.4 127.56 11.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.044 1.738 . . . . 10.0 109.408 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.79 -92.01 0.08 OUTLIER Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.973 0.797 . . . . 10.0 112.655 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -143.17 162.46 35.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.106 1.762 . . . . 10.0 111.484 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -142.16 22.86 2.05 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.024 1.33 . . . . 10.0 112.894 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m 54.48 25.77 6.49 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.509 1.924 . . . . 10.0 115.569 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -59.25 -22.15 60.68 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.511 1.525 . . . . 10.0 115.025 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.55 -23.14 65.76 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.178 -0.951 . . . . 10.0 113.288 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -63.14 -16.14 59.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.873 -1.142 . . . . 10.0 113.491 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.7 11.47 19.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.554 1.942 . . . . 10.0 112.145 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.57 -29.17 61.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -144.66 148.56 34.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.221 1.408 . . . . 10.0 111.162 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -144.85 7.38 1.23 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.362 1.065 . . . . 10.0 113.696 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.24 -171.05 47.04 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.337 0.97 . . . . 10.0 112.6 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -142.53 -40.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 114.633 1.346 . . . . 10.0 114.633 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -157.12 135.03 7.2 Favored Pre-proline 0 N--CA 1.476 0.871 0 CA-C-N 120.009 1.277 . . . . 10.0 112.459 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -80.39 -9.87 13.61 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.662 2.908 . . . . 10.0 113.78 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.52 -26.07 63.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.995 1.318 . . . . 10.0 114.179 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.1 p -54.1 -34.16 59.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.775 0.83 . . . . 10.0 112.298 170.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.358 28.0 ttt -81.52 -18.2 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.541 1.311 . . . . 10.0 114.541 175.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 m -64.64 -38.66 91.77 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.929 -1.732 . . . . 10.0 108.456 167.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -35.59 80.63 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.86 1.264 . . . . 10.0 112.482 169.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.5 mm? -57.65 -49.71 75.58 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.816 1.644 . . . . 10.0 110.293 169.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.84 -28.21 68.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 120.314 -0.554 . . . . 10.0 111.726 -169.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -74.53 -47.72 31.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.96 2.904 . . . . 10.0 113.452 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.72 -37.11 27.83 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -174.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.08 67.64 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.077 1.351 . . . . 10.0 110.486 170.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.16 -38.4 36.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.595 1.158 . . . . 10.0 111.102 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -59.62 -42.62 93.09 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.702 0.801 . . . . 10.0 111.698 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.26 -57.25 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 C-N-CA 125.64 1.576 . . . . 10.0 108.751 169.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.98 -40.94 87.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.099 0.959 . . . . 10.0 112.025 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -36.8 63.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.411 1.005 . . . . 10.0 112.606 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.308 1.9 t60 -73.68 -20.31 60.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.391 1.476 . . . . 10.0 110.86 170.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.93 -42.74 32.04 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.201 -1.562 . . . . 10.0 109.906 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.48 -39.51 88.8 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 120.129 1.331 . . . . 10.0 111.035 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.88 -24.6 67.8 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.037 -1.039 . . . . 10.0 110.228 168.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.9 tp -77.23 -42.92 35.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.677 -1.154 . . . . 10.0 113.674 173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.88 -42.51 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.649 1.568 . . . . 10.0 110.346 170.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.6 m -66.8 -37.46 84.58 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 116.558 -1.687 . . . . 10.0 109.35 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.15 79.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 121.215 1.825 . . . . 10.0 111.154 172.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -63.48 -45.99 88.21 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.24 0.927 . . . . 10.0 110.365 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -28.3 69.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.192 2.197 . . . . 10.0 113.077 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -40.7 26.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.934 2.093 . . . . 10.0 109.952 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.347 0.3 OUTLIER -65.7 -34.76 78.96 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.716 -0.659 . . . . 10.0 111.219 169.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.64 72.72 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 119.732 -1.855 . . . . 10.0 112.645 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.43 -23.13 61.79 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.325 1.05 . . . . 10.0 112.057 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.32 -32.81 37.86 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.412 -1.43 . . . . 10.0 112.202 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.8 -37.43 82.0 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.463 -1.398 . . . . 10.0 109.966 169.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 16.6 tptt -56.79 -37.8 71.65 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.749 0.819 . . . . 10.0 110.363 169.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.22 75.41 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.31 4.2 p -77.25 -21.74 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-N 118.896 0.771 . . . . 10.0 112.488 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.48 -38.84 92.42 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 120.135 -1.603 . . . . 10.0 111.602 168.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.8 p -109.63 -24.58 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 117.329 2.344 . . . . 10.0 117.329 -166.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -151.29 72.56 8.42 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.386 0.674 . . . . 10.0 111.947 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 3.3 Cg_endo -58.72 49.85 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.118 1 C-N-CA 127.566 5.511 . . . . 10.0 119.114 -173.773 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.405 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 82.9 m-20 -72.79 149.16 43.88 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 119.81 -1.806 . . . . 10.0 108.744 167.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.3 m-20 -56.95 -26.32 59.42 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.754 0.649 . . . . 10.0 112.754 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.0 -40.75 90.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.159 0 CA-C-O 116.377 -1.773 . . . . 10.0 114.7 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.17 -24.41 64.06 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 122.531 2.423 . . . . 10.0 109.922 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.3 mttt -76.76 -43.36 37.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.613 1.565 . . . . 10.0 111.183 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.05 -33.86 76.75 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -64.58 -30.1 71.13 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 129.586 3.155 . . . . 10.0 109.177 169.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.18 -51.47 60.87 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 118.29 -1.364 . . . . 10.0 109.774 167.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -57.8 -26.74 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.544 1.138 . . . . 10.0 113.604 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -75.22 -44.49 46.02 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.965 2.506 . . . . 10.0 113.726 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -68.71 -38.63 80.38 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.819 -1.176 . . . . 10.0 111.618 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -62.81 -31.0 71.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.077 2.551 . . . . 10.0 111.705 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.42 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.012 0.925 . . . . 10.0 111.843 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.83 61.35 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 120.084 1.311 . . . . 10.0 109.615 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -51.39 -38.09 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 120.955 1.707 . . . . 10.0 110.3 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -68.93 -39.05 79.81 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.922 1.237 . . . . 10.0 114.005 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -55.19 32.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.337 1.455 . . . . 10.0 110.57 169.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.11 -43.37 98.98 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.424 3.09 . . . . 10.0 111.159 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.41 -43.39 70.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.894 1.678 . . . . 10.0 110.823 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.1 m -56.93 -49.88 74.29 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.105 0.962 . . . . 10.0 109.828 171.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.3 -60.51 3.21 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.541 -1.695 . . . . 10.0 108.9 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.424 HD11 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.414 1.916 . . . . 10.0 114.935 -170.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.76 -50.71 52.03 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.548 1.522 . . . . 10.0 110.641 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -33.96 75.17 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.097 0.948 . . . . 10.0 113.432 175.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.88 -52.98 12.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 130.611 3.564 . . . . 10.0 109.983 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 91' ' ' LEU . 44.4 mttm -61.53 -30.33 70.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.128 0.971 . . . . 10.0 110.571 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -34.53 60.51 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.917 1.287 . . . . 10.0 113.338 168.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.72 -43.34 85.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 120.501 1.5 . . . . 10.0 107.53 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.82 -52.16 66.89 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 117.289 -1.339 . . . . 10.0 113.114 172.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.28 -24.86 57.65 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 121.428 1.922 . . . . 10.0 114.236 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.49 -44.08 19.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.471 1.109 . . . . 10.0 113.674 169.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -52.82 62.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.223 2.609 . . . . 10.0 112.766 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t -65.77 -44.69 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.647 1.979 . . . . 10.0 107.826 -169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 3.07 0.51 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.174 2.19 . . . . 10.0 115.248 171.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.92 -12.8 5.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.488 2.315 . . . . 10.0 113.155 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.14 -25.25 68.0 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.787 -1.195 . . . . 10.0 110.357 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -72.08 -6.91 45.82 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 130.0 3.32 . . . . 10.0 114.563 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.545 1.938 . . . . 10.0 111.353 -171.133 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.473 -0.195 . . . . 10.0 110.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.54 162.46 40.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.19 1.396 . . . . 10.0 111.777 175.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 54.73 -166.37 0.09 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.625 1.57 . . . . 10.0 113.997 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -150.95 162.77 40.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.625 1.57 . . . . 10.0 111.715 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.88 -11.3 14.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.938 1.295 . . . . 10.0 113.095 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -137.04 172.43 13.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.585 1.554 . . . . 10.0 111.236 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -134.85 150.56 50.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.905 1.282 . . . . 10.0 111.573 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.39 -169.05 36.82 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.278 1.418 . . . . 10.0 112.486 -176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.55 147.99 61.98 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 125.394 1.478 . . . . 10.0 111.305 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.45 150.13 35.59 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.504 2.803 . . . . 10.0 114.227 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.6 mm -67.12 141.2 96.2 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 124.013 0.925 . . . . 10.0 108.804 169.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -59.83 144.4 99.46 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.157 3.238 . . . . 10.0 112.284 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -61.4 127.23 88.04 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.039 0.936 . . . . 10.0 112.718 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.55 163.82 33.46 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.539 2.826 . . . . 10.0 112.748 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 tp -76.0 66.13 2.15 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.268 1.427 . . . . 10.0 111.184 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.6 tp -144.2 146.32 32.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.332 1.453 . . . . 10.0 111.735 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.85 38.83 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.086 1.327 . . . . 10.0 113.204 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.56 -7.79 35.8 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.401 2.0 . . . . 10.0 116.401 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -144.14 144.55 31.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 10.0 112.467 -171.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -158.5 167.21 30.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.352 2.261 . . . . 10.0 110.078 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 p -133.95 158.16 44.2 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.5 1.12 . . . . 10.0 113.123 -173.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -152.19 156.37 39.63 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.444 1.898 . . . . 10.0 109.716 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -145.01 153.14 41.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.447 1.099 . . . . 10.0 112.262 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.7 tp -145.17 118.34 8.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.186 1.795 . . . . 10.0 109.437 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -144.28 8.91 1.41 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.278 1.031 . . . . 10.0 113.625 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -75.01 -2.35 26.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -138.25 161.72 36.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.196 1.799 . . . . 10.0 111.108 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.52 18.95 74.83 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 123.904 0.764 . . . . 10.0 114.183 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.9 pt -131.59 14.97 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.526 1.93 . . . . 10.0 112.35 -174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.02 140.31 77.77 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 125.695 1.598 . . . . 10.0 113.271 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.87 170.88 18.99 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.176 2.584 . . . . 10.0 113.374 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 63.05 7.53 2.76 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 117.054 2.242 . . . . 10.0 117.054 170.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.9 p -59.25 -40.17 85.12 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.299 -1.501 . . . . 10.0 113.67 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.376 26.6 ttt -89.03 -10.19 48.45 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 171.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -69.05 -38.33 79.05 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 119.937 -1.727 . . . . 10.0 106.987 166.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -35.42 80.28 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.715 1.606 . . . . 10.0 111.761 168.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.25 -51.52 69.02 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.621 1.555 . . . . 10.0 109.505 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.05 -25.66 65.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 120.55 -0.46 . . . . 10.0 112.178 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -78.84 -42.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.75 2.82 . . . . 10.0 114.009 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -36.89 30.34 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.913 -1.117 . . . . 10.0 112.941 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -24.46 66.61 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.672 1.589 . . . . 10.0 110.676 169.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.02 -39.59 29.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.362 1.465 . . . . 10.0 111.154 169.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.54 -42.34 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 10.0 111.84 171.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -57.19 2.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 C-N-CA 125.6 1.56 . . . . 10.0 108.551 169.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.04 80.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.056 0.542 . . . . 10.0 111.927 -172.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -43.84 61.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.608 1.094 . . . . 10.0 112.26 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.324 2.0 t60 -68.18 -20.0 64.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.81 1.244 . . . . 10.0 111.44 170.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -78.09 -42.88 30.72 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 120.179 -1.576 . . . . 10.0 109.749 168.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -66.13 -37.91 86.86 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.677 1.581 . . . . 10.0 111.238 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.12 -24.01 67.3 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -0.969 . . . . 10.0 110.147 168.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -79.65 -42.92 23.81 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 117.708 -1.139 . . . . 10.0 113.51 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 m -60.2 -41.89 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 120.586 1.539 . . . . 10.0 109.997 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.9 m -69.03 -34.5 75.32 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 116.047 -1.93 . . . . 10.0 110.339 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.05 79.55 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.54 1.973 . . . . 10.0 111.189 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.09 -45.92 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.211 0.914 . . . . 10.0 110.546 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.87 -29.7 70.66 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.408 2.283 . . . . 10.0 112.893 178.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -76.96 -42.26 39.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 127.097 2.159 . . . . 10.0 110.127 174.105 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -65.02 -33.54 76.29 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 118.607 -0.711 . . . . 10.0 111.561 171.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -30.93 71.38 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 119.859 -1.776 . . . . 10.0 112.854 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.99 -22.72 60.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.342 1.057 . . . . 10.0 111.858 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.22 -32.54 38.47 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.364 -1.46 . . . . 10.0 111.69 168.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.91 -37.1 81.27 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.511 -1.368 . . . . 10.0 110.017 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 18.5 tptt -57.19 -37.62 72.43 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.492 0.717 . . . . 10.0 110.393 169.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.07 75.23 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -77.36 -21.85 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.943 0.792 . . . . 10.0 112.456 169.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.16 -38.24 90.34 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.098 -1.626 . . . . 10.0 111.472 168.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.9 p -109.65 -24.72 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -166.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -151.29 72.96 8.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.314 0.645 . . . . 10.0 111.859 169.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.3 Cg_endo -59.64 50.03 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.142 1 C-N-CA 127.382 5.388 . . . . 10.0 118.974 -173.84 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 80.1 m-20 -73.48 149.87 42.02 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 119.943 -1.723 . . . . 10.0 108.643 167.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 77.4 m-20 -57.66 -23.03 49.22 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.56 -41.08 87.83 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 CA-C-O 116.185 -1.864 . . . . 10.0 114.376 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -69.99 -25.2 63.49 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 122.753 2.524 . . . . 10.0 109.968 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -76.06 -41.65 49.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.61 1.564 . . . . 10.0 111.056 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -67.84 -32.81 73.59 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 122.844 1.306 . . . . 10.0 114.364 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.3 m -66.54 -29.5 69.6 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 130.087 3.355 . . . . 10.0 108.963 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.86 -51.15 61.3 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 118.405 -1.318 . . . . 10.0 109.401 167.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.91 -26.26 61.94 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.485 1.114 . . . . 10.0 113.728 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -75.44 -45.25 39.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.859 2.463 . . . . 10.0 113.767 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.92 -39.22 83.56 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.898 -1.126 . . . . 10.0 111.375 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -62.88 -30.38 71.48 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 128.379 2.671 . . . . 10.0 111.845 169.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.41 69.14 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.008 0.923 . . . . 10.0 111.678 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.62 65.26 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.932 1.242 . . . . 10.0 109.378 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.7 -38.26 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 121.019 1.736 . . . . 10.0 110.307 173.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -69.2 -37.83 78.29 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 120.069 1.304 . . . . 10.0 113.975 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.4 m -55.88 -54.96 38.32 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.398 1.479 . . . . 10.0 110.312 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.91 -42.77 99.9 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 129.456 3.102 . . . . 10.0 111.197 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.34 -42.37 68.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.886 1.674 . . . . 10.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -57.65 -48.64 78.92 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.64 0.776 . . . . 10.0 110.029 171.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.81 -60.41 3.4 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 116.725 -1.607 . . . . 10.0 109.158 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.75 -26.79 68.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 121.684 2.038 . . . . 10.0 114.332 -171.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.66 -51.66 39.89 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.517 1.508 . . . . 10.0 110.585 168.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -34.11 75.03 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.712 1.256 . . . . 10.0 113.492 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.02 -53.5 10.99 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 130.133 3.373 . . . . 10.0 110.013 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HE2' HD13 ' A' ' 91' ' ' LEU . 42.2 mttm -61.92 -28.79 69.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.036 0.934 . . . . 10.0 110.638 174.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -34.16 58.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.703 1.601 . . . . 10.0 113.863 169.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -59.46 -44.59 92.97 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 120.419 1.463 . . . . 10.0 107.063 168.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.68 -52.04 67.08 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.429 171.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.1 -24.48 54.31 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.444 1.929 . . . . 10.0 114.333 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -80.68 -45.83 16.54 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.455 1.102 . . . . 10.0 113.613 169.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.03 -52.94 59.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.346 2.658 . . . . 10.0 112.529 174.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.41 -43.68 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 126.822 2.049 . . . . 10.0 107.878 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 8.02 0.3 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.852 2.061 . . . . 10.0 114.975 170.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.87 -18.16 4.31 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.155 2.182 . . . . 10.0 112.88 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -27.55 66.45 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 120.888 -1.133 . . . . 10.0 111.078 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -71.51 -21.12 61.96 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.14 2.976 . . . . 10.0 114.659 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.056 1.742 . . . . 10.0 112.322 -169.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttm . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.25 -28.15 66.45 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.97 -23.33 67.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.576 1.151 . . . . 10.0 113.526 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.79 121.68 15.58 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.112 -0.993 . . . . 10.0 112.666 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -143.1 145.92 33.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.938 1.695 . . . . 10.0 110.282 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -154.78 127.2 7.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.531 1.132 . . . . 10.0 111.399 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.525 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 10.4 t-80 51.88 -169.55 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.501 1.92 . . . . 10.0 114.679 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.525 ' H ' ' CG ' ' A' ' 7' ' ' HIS . . . 73.49 9.42 77.95 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.402 1.321 . . . . 10.0 116.402 172.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.53 125.09 81.48 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.873 1.269 . . . . 10.0 111.815 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.83 152.24 29.5 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.694 2.929 . . . . 10.0 114.47 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -152.69 136.08 9.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 125.478 1.511 . . . . 10.0 110.394 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.89 150.05 48.59 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.254 2.636 . . . . 10.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -70.09 140.38 88.26 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.611 0.764 . . . . 10.0 110.511 171.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.17 148.65 75.31 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.165 1.91 . . . . 10.0 111.585 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt 46.43 31.75 1.39 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.381 1.873 . . . . 10.0 114.942 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.07 133.35 55.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.775 1.23 . . . . 10.0 112.696 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.04 33.75 0.21 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.943 1.259 . . . . 10.0 113.424 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -149.15 174.59 12.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.721 1.608 . . . . 10.0 112.606 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.33 15.91 2.78 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.652 1.581 . . . . 10.0 112.142 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -60.98 156.23 18.18 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.211 1.804 . . . . 10.0 113.778 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -150.26 160.03 44.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.097 1.359 . . . . 10.0 111.391 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -154.53 157.0 37.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.739 1.616 . . . . 10.0 110.577 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -60.33 160.62 8.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.556 1.143 . . . . 10.0 113.262 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -136.26 136.52 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.383 1.473 . . . . 10.0 110.148 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -71.24 155.82 40.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.65 0.78 . . . . 10.0 111.64 173.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -145.25 160.45 41.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.274 1.43 . . . . 10.0 111.157 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -138.08 151.25 47.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.759 1.224 . . . . 10.0 111.623 -174.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.76 23.99 0.29 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.153 0.882 . . . . 10.0 114.587 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pp -81.05 -4.88 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.677 1.191 . . . . 10.0 113.984 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.18 160.88 68.35 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.882 1.273 . . . . 10.0 112.52 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.11 -16.49 16.98 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.986 3.124 . . . . 10.0 116.399 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 t80 61.81 -7.35 0.11 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.959 2.504 . . . . 10.0 116.081 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -53.1 -40.89 64.46 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.595 -1.315 . . . . 10.0 114.071 -173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.397 28.4 ttt -86.81 -13.03 46.25 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.668 1.359 . . . . 10.0 114.668 176.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -69.57 -38.79 77.53 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 119.95 -1.719 . . . . 10.0 107.018 166.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.37 77.98 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 10.0 112.079 168.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.81 -51.19 70.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.9 1.682 . . . . 10.0 109.645 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.58 -30.36 70.64 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 120.306 -0.557 . . . . 10.0 111.369 -169.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -71.61 -46.59 58.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.645 2.778 . . . . 10.0 114.11 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -36.82 29.56 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 124.855 1.262 . . . . 10.0 113.756 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -26.13 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.418 1.487 . . . . 10.0 110.573 170.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.5 -38.49 34.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 10.0 110.891 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -39.04 87.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.177 -0.952 . . . . 10.0 112.036 172.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -57.16 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 125.69 1.596 . . . . 10.0 107.788 169.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -35.58 79.35 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.519 1.128 . . . . 10.0 112.691 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.08 36.23 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 120.614 -1.304 . . . . 10.0 112.605 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.305 2.2 t60 -73.63 -20.4 60.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.255 1.022 . . . . 10.0 110.447 169.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.87 -42.68 38.93 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 120.388 -1.445 . . . . 10.0 109.582 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.03 -39.71 90.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 120.016 1.28 . . . . 10.0 111.093 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -63.73 -24.31 67.72 Favored 'General case' 0 C--O 1.225 -0.21 0 O-C-N 121.204 -0.935 . . . . 10.0 110.247 168.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.3 tp -78.06 -43.01 30.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.675 -1.155 . . . . 10.0 113.732 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.68 -42.42 91.87 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 120.775 1.625 . . . . 10.0 110.293 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -67.44 -35.47 79.3 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 116.371 -1.776 . . . . 10.0 109.668 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.47 81.25 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.38 1.9 . . . . 10.0 111.122 171.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -63.57 -45.14 91.8 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.171 0.896 . . . . 10.0 110.499 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -29.4 70.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.101 2.161 . . . . 10.0 112.691 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -39.83 37.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.839 2.056 . . . . 10.0 109.586 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.8 -37.1 85.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.935 -0.555 . . . . 10.0 110.851 169.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -65.38 -32.29 73.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 119.589 -1.944 . . . . 10.0 112.633 171.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.51 -22.78 62.6 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.595 1.158 . . . . 10.0 112.399 169.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -33.34 37.4 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.535 -1.353 . . . . 10.0 112.204 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -66.18 -39.47 89.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.378 -1.451 . . . . 10.0 109.509 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -61.1 -19.86 61.95 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.195 1.398 . . . . 10.0 112.257 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.79 13.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 171.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.347 3.5 p -65.36 -19.51 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 120.895 -1.128 . . . . 10.0 111.402 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.6 -48.94 75.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.282 1.433 . . . . 10.0 111.163 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 m -87.76 -37.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.422 1.489 . . . . 10.0 113.888 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.01 76.51 7.19 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.518 0.727 . . . . 10.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.8 Cg_endo -61.66 54.78 0.11 Allowed 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.914 5.076 . . . . 10.0 117.664 -175.311 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -75.44 150.44 38.27 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 120.342 -1.474 . . . . 10.0 108.441 167.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.7 t70 -55.72 -27.48 50.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.701 0.762 . . . . 10.0 112.808 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.09 -42.26 95.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 CA-C-O 116.195 -1.859 . . . . 10.0 114.661 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -69.26 -23.42 63.85 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 122.826 2.557 . . . . 10.0 109.785 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 12.3 mttt -79.31 -39.64 32.35 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.224 1.41 . . . . 10.0 111.293 171.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 t -69.34 -31.86 70.57 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.464 -1.398 . . . . 10.0 114.095 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -65.29 -30.65 71.54 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 129.344 3.058 . . . . 10.0 108.156 168.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -52.47 47.15 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 118.675 -1.21 . . . . 10.0 109.8 167.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -56.53 -24.93 50.08 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.177 1.391 . . . . 10.0 113.892 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 129.527 3.131 . . . . 10.0 114.062 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -66.45 -39.39 88.83 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.842 -1.161 . . . . 10.0 111.22 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -62.11 -31.37 71.82 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.308 2.643 . . . . 10.0 111.861 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.01 70.37 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 118.211 -0.899 . . . . 10.0 111.746 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.94 76.85 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 120.679 1.581 . . . . 10.0 110.32 168.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.44 -37.46 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.75 1.614 . . . . 10.0 110.064 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -69.25 -39.21 78.62 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.047 1.294 . . . . 10.0 114.167 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 m -54.13 -54.96 32.47 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.311 1.444 . . . . 10.0 110.642 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.47 -43.85 97.82 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 129.273 3.029 . . . . 10.0 111.106 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.58 -42.69 74.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.471 1.509 . . . . 10.0 110.803 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.4 m -57.69 -49.3 76.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.069 0.948 . . . . 10.0 110.198 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -53.25 -60.31 3.46 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 116.643 -1.646 . . . . 10.0 108.841 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.02 -29.84 71.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 121.375 1.898 . . . . 10.0 114.621 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.27 60.28 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.883 1.674 . . . . 10.0 111.133 169.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.87 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 117.976 0.888 . . . . 10.0 113.337 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.1 -51.75 20.04 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 130.422 3.489 . . . . 10.0 110.214 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -61.51 -30.33 70.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.45 1.1 . . . . 10.0 110.352 173.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -34.93 61.88 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.156 1.382 . . . . 10.0 113.577 169.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -58.61 -43.33 89.59 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 120.408 1.458 . . . . 10.0 107.67 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.56 -52.33 66.1 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 117.27 -1.348 . . . . 10.0 112.709 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 121.563 1.983 . . . . 10.0 114.238 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -45.01 17.94 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.49 1.116 . . . . 10.0 113.598 168.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.62 -52.96 60.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.11 2.564 . . . . 10.0 112.548 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.1 t -66.76 -43.61 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 C-N-CA 126.727 2.011 . . . . 10.0 107.865 -169.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.89 5.43 0.48 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.892 2.077 . . . . 10.0 115.17 171.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.12 -21.47 4.64 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.543 2.337 . . . . 10.0 113.101 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.41 64.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.823 1.249 . . . . 10.0 111.424 169.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -70.7 -16.83 62.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 129.138 2.975 . . . . 10.0 114.877 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.057 1.743 . . . . 10.0 113.069 -169.283 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.562 0.22 . . . . 10.0 111.432 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -74.18 -2.48 24.91 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.746 1.758 . . . . 10.0 115.746 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -146.05 156.71 43.65 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.378 1.471 . . . . 10.0 112.513 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -68.13 -19.69 64.84 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -58.96 133.74 56.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.579 1.152 . . . . 10.0 112.697 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -158.99 172.33 18.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.91 2.084 . . . . 10.0 110.253 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -145.46 -35.22 0.31 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.28 40.8 92.41 Favored Glycine 0 CA--C 1.539 1.532 0 CA-C-N 119.28 0.945 . . . . 10.0 114.525 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -53.06 143.74 30.96 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 125.718 1.607 . . . . 10.0 113.832 -172.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.53 170.43 18.54 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 123.681 2.921 . . . . 10.0 112.584 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -121.22 138.06 27.56 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.615 1.566 . . . . 10.0 108.962 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.96 164.77 34.56 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.807 3.671 . . . . 10.0 113.411 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -147.49 163.35 28.24 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.816 1.646 . . . . 10.0 110.338 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.14 -8.52 18.8 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 122.869 2.379 . . . . 10.0 115.578 -170.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.5 mt 53.98 -168.3 0.07 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.484 1.913 . . . . 10.0 114.281 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.51 -53.56 0.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.394 1.477 . . . . 10.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.02 165.76 31.8 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.65 1.119 . . . . 10.0 113.59 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 tp -156.52 144.88 19.79 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.154 1.382 . . . . 10.0 111.251 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.67 -20.22 65.93 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -61.6 -65.01 0.76 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.032 0.933 . . . . 10.0 111.441 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -63.33 -24.18 67.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.555 1.142 . . . . 10.0 113.373 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.91 -42.44 90.18 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.152 -0.967 . . . . 10.0 112.946 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -158.47 -39.88 0.06 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.08 -4.19 40.07 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.592 1.331 . . . . 10.0 114.592 -169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -57.7 -19.88 30.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -147.86 144.99 28.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.338 1.055 . . . . 10.0 112.332 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -146.23 155.12 42.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.855 2.062 . . . . 10.0 109.449 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.65 2.5 0.03 OUTLIER Glycine 0 CA--C 1.537 1.463 0 N-CA-C 117.705 1.842 . . . . 10.0 117.705 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.88 151.84 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 119.618 1.709 . . . . 10.0 112.599 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.96 150.33 97.82 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.258 0.623 . . . . 10.0 112.235 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.01 142.98 32.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.247 2.631 . . . . 10.0 113.399 170.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 57.19 18.73 4.37 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.847 1.795 . . . . 10.0 115.847 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -55.85 -36.84 68.0 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.388 25.0 ttt -92.18 -10.88 37.11 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.186 1.18 . . . . 10.0 114.186 173.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 m -68.33 -37.49 80.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.076 -1.64 . . . . 10.0 106.704 166.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -36.73 82.3 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.535 1.534 . . . . 10.0 111.765 168.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.82 -51.45 68.91 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.54 1.518 . . . . 10.0 109.813 169.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.65 -34.31 77.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.145 -170.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.33 -46.64 72.86 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.363 2.265 . . . . 10.0 112.988 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -36.61 33.99 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 119.699 1.136 . . . . 10.0 112.583 -172.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -65.85 -26.74 67.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.831 1.653 . . . . 10.0 110.757 170.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.0 -38.09 37.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.068 1.347 . . . . 10.0 111.462 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.51 -42.73 96.97 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.824 1.25 . . . . 10.0 111.029 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -58.05 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 125.947 1.699 . . . . 10.0 108.649 169.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -38.86 78.65 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.912 0.485 . . . . 10.0 111.914 -172.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -39.83 70.82 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.379 0.99 . . . . 10.0 112.295 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.371 2.8 t60 -72.79 -20.01 61.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.445 1.498 . . . . 10.0 111.797 170.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.93 -40.99 37.85 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 119.931 -1.731 . . . . 10.0 109.307 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -37.75 86.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.419 1.463 . . . . 10.0 111.344 174.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.41 -23.45 66.31 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 121.004 -1.06 . . . . 10.0 110.264 168.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.9 tp -77.82 -43.02 31.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 117.647 -1.168 . . . . 10.0 113.573 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 m -60.59 -41.22 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 120.682 1.583 . . . . 10.0 110.205 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -67.73 -40.16 84.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 115.99 -1.957 . . . . 10.0 109.004 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.64 74.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 122.114 2.233 . . . . 10.0 111.484 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -61.97 -46.76 87.84 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.774 0.715 . . . . 10.0 110.531 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.98 -32.91 74.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.987 2.115 . . . . 10.0 113.154 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.77 -39.93 63.82 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 125.543 1.537 . . . . 10.0 109.422 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.463 0.0 OUTLIER -67.95 -33.07 73.96 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.326 -0.845 . . . . 10.0 111.566 172.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.85 73.77 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.798 -1.814 . . . . 10.0 113.34 169.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.3 -25.46 62.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.84 1.256 . . . . 10.0 112.231 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.75 37.84 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.711 -1.243 . . . . 10.0 111.81 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.36 -38.25 84.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.167 -1.583 . . . . 10.0 109.346 169.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 17.0 tptt -56.53 -36.64 69.45 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.794 0.838 . . . . 10.0 110.355 169.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.53 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.312 3.3 p -76.13 -22.12 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-N 118.88 0.764 . . . . 10.0 112.487 169.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.06 -37.61 88.07 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 119.997 -1.689 . . . . 10.0 111.791 168.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.6 p -111.3 -24.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 117.508 2.41 . . . . 10.0 117.508 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -150.87 71.71 8.75 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.55 0.74 . . . . 10.0 112.137 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.275 4.8 Cg_endo -59.37 51.47 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.128 1 C-N-CA 127.609 5.539 . . . . 10.0 118.986 -173.608 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.41 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.9 m-20 -73.58 149.14 42.32 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.857 -1.777 . . . . 10.0 108.91 167.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.48 -23.08 47.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.73 -45.69 87.48 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 CA-C-O 116.422 -1.752 . . . . 10.0 113.326 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -64.85 -24.64 67.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.041 2.655 . . . . 10.0 110.59 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -79.1 -29.35 43.23 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.906 1.683 . . . . 10.0 112.981 171.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.7 m -80.36 -39.53 28.33 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.049 1.739 . . . . 10.0 113.876 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.2 m -57.94 -29.64 65.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 130.519 3.528 . . . . 10.0 108.04 167.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -54.1 41.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 118.933 -1.107 . . . . 10.0 111.336 168.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -59.27 -26.09 64.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 125.979 1.712 . . . . 10.0 112.746 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.67 -45.7 57.59 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.15 2.58 . . . . 10.0 113.128 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.48 -41.19 80.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.766 1.27 . . . . 10.0 111.887 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -64.21 -28.14 69.54 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.402 2.681 . . . . 10.0 111.685 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.38 -32.71 64.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.163 0.985 . . . . 10.0 111.327 169.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.78 75.19 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.011 1.278 . . . . 10.0 109.053 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.54 -39.75 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.983 1.719 . . . . 10.0 110.721 172.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -68.32 -38.47 81.61 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.086 1.312 . . . . 10.0 113.824 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.9 m -54.92 -54.73 38.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.272 1.429 . . . . 10.0 110.557 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.97 -44.16 96.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 129.44 3.096 . . . . 10.0 111.196 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.29 -43.46 73.81 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.879 1.672 . . . . 10.0 110.597 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -58.27 -49.42 77.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.885 0.874 . . . . 10.0 110.364 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -53.22 -60.26 3.52 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 116.96 -1.495 . . . . 10.0 108.962 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.9 mm? -62.98 -28.95 70.44 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 121.231 1.832 . . . . 10.0 114.842 -171.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.3 -50.7 54.85 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 120.761 1.619 . . . . 10.0 110.747 168.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -31.58 72.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.349 1.075 . . . . 10.0 113.751 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tp -74.83 -52.27 11.81 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 129.944 3.298 . . . . 10.0 109.696 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE2' HD13 ' A' ' 91' ' ' LEU . 42.4 mttm -61.37 -31.02 70.91 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.23 1.012 . . . . 10.0 110.497 174.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -35.22 61.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.963 1.305 . . . . 10.0 113.591 169.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.07 -43.49 82.16 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.775 1.625 . . . . 10.0 107.835 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.72 -52.11 67.09 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.574 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -24.54 51.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.341 1.882 . . . . 10.0 114.476 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.63 -44.96 18.03 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.601 1.091 . . . . 10.0 113.668 169.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.15 -53.56 54.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.044 2.537 . . . . 10.0 112.585 174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.58 -43.4 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 126.695 1.998 . . . . 10.0 107.775 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 7.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.109 2.164 . . . . 10.0 115.305 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.74 -20.43 3.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.399 2.279 . . . . 10.0 112.813 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -27.65 67.19 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.315 1.046 . . . . 10.0 111.488 169.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -70.23 -28.66 65.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.508 2.723 . . . . 10.0 114.457 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.251 1.82 . . . . 10.0 112.987 -170.255 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.345 0.117 . . . . 10.0 110.711 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -137.93 165.28 26.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.349 1.46 . . . . 10.0 111.686 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -140.37 166.0 25.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.198 1.399 . . . . 10.0 112.002 -174.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -150.13 177.56 9.79 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.584 1.554 . . . . 10.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -137.75 152.09 48.84 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.956 1.302 . . . . 10.0 111.877 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -142.55 156.7 45.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.822 1.249 . . . . 10.0 111.485 -171.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -141.85 171.48 14.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.068 1.347 . . . . 10.0 112.15 -170.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.78 173.22 50.21 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.537 1.065 . . . . 10.0 115.307 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -63.67 155.24 77.3 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.991 1.716 . . . . 10.0 113.4 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.87 169.26 15.11 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.559 2.839 . . . . 10.0 113.276 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.46 158.66 28.33 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 125.102 1.361 . . . . 10.0 113.656 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.96 162.58 1.03 Allowed 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.572 4.181 . . . . 10.0 115.79 173.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -144.68 158.04 54.14 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.829 1.651 . . . . 10.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.73 177.32 7.05 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.41 2.74 . . . . 10.0 112.022 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.02 -29.87 68.78 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.525 1.306 . . . . 10.0 114.525 -175.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt 49.12 40.8 18.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.626 1.571 . . . . 10.0 113.364 -174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.63 174.54 33.66 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.471 1.51 . . . . 10.0 113.26 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 tp -148.05 152.8 38.01 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.558 1.543 . . . . 10.0 110.978 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.89 119.16 3.98 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.978 1.311 . . . . 10.0 112.69 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -146.93 160.83 41.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.836 1.654 . . . . 10.0 111.707 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -150.71 160.25 43.97 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.821 1.248 . . . . 10.0 111.367 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -144.78 155.99 43.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.88 1.672 . . . . 10.0 111.27 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -151.42 166.55 30.73 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.266 1.426 . . . . 10.0 110.943 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.39 136.94 47.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.615 1.566 . . . . 10.0 110.565 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -147.97 17.14 1.1 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.809 1.644 . . . . 10.0 112.326 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -148.54 167.54 25.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.474 1.91 . . . . 10.0 111.465 -170.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -154.32 -179.67 8.15 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.592 1.557 . . . . 10.0 111.669 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.33 176.63 28.86 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.932 1.253 . . . . 10.0 113.156 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.0 tt -156.39 163.47 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.966 1.706 . . . . 10.0 110.381 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.72 142.42 42.02 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.087 1.355 . . . . 10.0 110.247 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.51 -36.41 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.754 1.636 . . . . 10.0 114.322 -169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -55.16 -43.94 74.7 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -61.28 -39.05 88.98 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.781 -0.575 . . . . 10.0 111.982 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.392 28.3 ttt -85.27 -16.19 40.95 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.451 1.278 . . . . 10.0 114.451 175.295 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.7 m -66.11 -40.12 90.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.809 -1.807 . . . . 10.0 107.546 167.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -35.94 82.62 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.849 1.26 . . . . 10.0 112.396 169.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.4 mm? -57.68 -50.13 74.2 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.798 1.635 . . . . 10.0 109.973 169.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.81 -28.56 67.69 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.247 -0.581 . . . . 10.0 111.602 -169.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.73 -46.98 50.75 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.62 2.768 . . . . 10.0 113.295 169.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 -36.75 24.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 124.56 1.144 . . . . 10.0 113.899 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -26.07 67.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.61 1.564 . . . . 10.0 110.341 169.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.3 -38.78 34.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.512 1.125 . . . . 10.0 110.887 168.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.67 -42.47 92.93 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.779 0.832 . . . . 10.0 111.651 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.51 -56.98 2.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 C-N-CA 125.809 1.643 . . . . 10.0 108.448 169.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -38.86 82.69 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.97 0.908 . . . . 10.0 112.331 -173.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.9 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.983 -1.073 . . . . 10.0 112.265 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.298 1.9 t60 -71.42 -19.5 62.24 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.785 1.634 . . . . 10.0 110.651 169.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.78 -41.74 29.72 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.088 -1.632 . . . . 10.0 109.153 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.27 -38.62 88.23 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.272 1.396 . . . . 10.0 111.432 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -70.96 -19.11 62.59 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 120.882 -1.136 . . . . 10.0 110.746 168.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.09 -42.61 59.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 120.42 1.463 . . . . 10.0 112.698 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.13 -42.56 93.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 120.21 1.368 . . . . 10.0 110.407 170.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 HG21 ' HE3' ' A' ' 57' ' ' LYS . 29.9 m -66.1 -38.9 89.36 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 116.135 -1.888 . . . . 10.0 109.324 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.05 77.96 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 122.226 2.284 . . . . 10.0 111.32 173.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -62.9 -42.3 99.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.985 0.811 . . . . 10.0 110.765 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.93 -34.18 73.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.294 2.237 . . . . 10.0 113.475 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.501 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -72.35 -38.64 68.54 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.949 1.7 . . . . 10.0 109.046 172.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.37 0.2 OUTLIER -66.8 -36.75 83.11 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.43 172.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.11 -31.5 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 119.967 -1.708 . . . . 10.0 112.658 171.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.51 -24.07 62.77 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.697 1.199 . . . . 10.0 112.441 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.46 40.29 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.815 -1.178 . . . . 10.0 112.237 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.62 -39.91 88.55 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.308 -1.495 . . . . 10.0 109.704 169.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -61.05 -19.82 61.84 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 125.427 1.491 . . . . 10.0 112.222 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.13 -45.6 13.76 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.03 1.493 . . . . 10.0 115.03 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.5 p -65.64 -19.65 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 120.888 -1.133 . . . . 10.0 111.424 169.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.07 -48.48 78.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.382 1.473 . . . . 10.0 111.21 167.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -88.92 -37.47 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.5 1.52 . . . . 10.0 113.92 -169.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -151.93 76.54 7.24 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 10.0 111.647 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.264 7.5 Cg_endo -61.57 51.71 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.087 1 C-N-CA 126.983 5.122 . . . . 10.0 117.819 -175.808 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.7 m-20 -73.46 149.84 42.08 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.178 -1.576 . . . . 10.0 108.209 167.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.1 m-20 -57.73 -22.5 46.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.76 -41.89 88.57 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 CA-C-O 116.164 -1.874 . . . . 10.0 114.507 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -69.97 -25.13 63.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.789 2.541 . . . . 10.0 109.765 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.9 mttt -76.5 -41.98 45.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.417 1.487 . . . . 10.0 111.078 169.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -66.5 -32.58 74.02 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.97 1.367 . . . . 10.0 114.182 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 m -66.81 -29.72 69.73 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 130.167 3.387 . . . . 10.0 108.954 169.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.23 -50.8 62.57 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.51 -1.276 . . . . 10.0 109.545 167.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -57.97 -26.98 63.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 10.0 113.73 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -74.4 -45.06 49.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.763 2.425 . . . . 10.0 113.557 170.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -68.06 -38.52 82.52 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.866 -1.146 . . . . 10.0 111.475 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.377 2.671 . . . . 10.0 111.816 169.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.23 68.03 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.163 0.985 . . . . 10.0 111.626 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.92 -48.75 67.69 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 119.937 1.244 . . . . 10.0 109.57 168.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.14 -39.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 121.155 1.798 . . . . 10.0 110.281 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.58 -36.98 81.94 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.15 1.341 . . . . 10.0 113.914 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -57.53 -56.13 25.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.39 1.476 . . . . 10.0 110.718 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.65 -42.13 96.38 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.59 3.156 . . . . 10.0 110.447 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.04 -43.76 64.44 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.319 1.848 . . . . 10.0 111.335 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.8 m -57.97 -48.2 80.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.507 0.723 . . . . 10.0 110.129 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -54.68 -60.29 3.56 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 116.391 -1.766 . . . . 10.0 109.029 172.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.416 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -62.92 -29.29 70.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 121.695 2.043 . . . . 10.0 114.635 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.08 -51.9 49.14 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 120.396 1.453 . . . . 10.0 110.355 169.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -32.56 73.99 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.905 1.353 . . . . 10.0 114.126 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -72.2 -51.49 20.89 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 129.439 3.096 . . . . 10.0 109.36 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.416 ' HE2' HD13 ' A' ' 91' ' ' LEU . 44.5 mttm -62.33 -30.97 71.55 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.102 0.961 . . . . 10.0 110.574 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.6 59.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.797 1.239 . . . . 10.0 113.631 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.92 -45.09 96.05 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 120.508 1.504 . . . . 10.0 107.078 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.73 -50.68 71.5 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 117.423 -1.275 . . . . 10.0 112.439 173.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -25.35 60.46 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 121.224 1.829 . . . . 10.0 114.772 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.6 -43.82 19.93 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.491 1.041 . . . . 10.0 113.676 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -53.37 55.76 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 128.233 2.613 . . . . 10.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.92 -45.33 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 126.822 2.049 . . . . 10.0 107.921 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 0.47 0.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.738 2.015 . . . . 10.0 115.138 171.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.81 -19.87 7.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.051 2.14 . . . . 10.0 113.401 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.87 -25.8 65.35 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.04 1.336 . . . . 10.0 111.269 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -75.17 -12.76 60.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.253 3.021 . . . . 10.0 114.756 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.875 1.67 . . . . 10.0 113.61 -169.365 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.198 -0.43 . . . . 10.0 110.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -63.97 155.27 31.51 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.79 0.836 . . . . 10.0 112.046 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -153.06 -46.17 0.1 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.961 0.904 . . . . 10.0 113.347 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -153.82 152.42 30.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.208 1.403 . . . . 10.0 110.999 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -143.04 150.48 39.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 10.0 111.645 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.06 143.73 57.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.186 0.994 . . . . 10.0 112.446 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -143.72 163.0 34.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.872 1.669 . . . . 10.0 111.716 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -172.86 49.26 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.015 1.293 . . . . 10.0 114.845 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -136.36 153.45 76.35 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 126.296 1.839 . . . . 10.0 111.943 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.96 170.27 17.22 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.663 2.909 . . . . 10.0 113.293 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -145.08 143.29 20.06 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.751 1.62 . . . . 10.0 111.246 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.29 163.57 1.59 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.991 3.794 . . . . 10.0 115.58 172.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -144.08 141.57 18.6 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.493 1.517 . . . . 10.0 110.316 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -70.92 172.04 14.55 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.118 2.545 . . . . 10.0 113.001 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.6 mt -125.45 4.73 7.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.583 1.553 . . . . 10.0 113.285 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -152.43 177.46 10.58 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.793 2.037 . . . . 10.0 111.235 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.91 -17.53 0.05 OUTLIER Glycine 0 CA--C 1.537 1.429 0 N-CA-C 117.09 1.596 . . . . 10.0 117.09 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -147.26 173.03 12.94 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.285 1.543 . . . . 10.0 113.536 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.48 160.92 43.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.634 1.974 . . . . 10.0 110.387 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p -147.79 160.37 42.81 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.322 1.049 . . . . 10.0 113.738 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.5 p -142.1 16.57 2.09 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.58 1.552 . . . . 10.0 113.502 -172.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.71 140.73 50.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.194 1.398 . . . . 10.0 113.745 -175.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -150.98 149.25 29.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.904 1.682 . . . . 10.0 110.561 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -145.51 157.2 44.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.969 1.708 . . . . 10.0 111.789 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -143.09 152.92 42.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.648 1.579 . . . . 10.0 111.519 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -145.88 -9.17 0.54 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.895 1.278 . . . . 10.0 114.055 -170.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -64.77 -16.15 62.61 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.101 2.16 . . . . 10.0 116.37 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.33 30.26 0.63 Allowed Glycine 0 N--CA 1.474 1.226 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 -170.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.8 pt -123.45 -6.29 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -158.23 -41.62 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 116.027 1.862 . . . . 10.0 116.027 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -46.24 -20.38 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.087 4.525 . . . . 10.0 117.961 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.68 -33.77 56.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 -174.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 t -60.43 -32.37 71.3 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.212 -0.93 . . . . 10.0 113.1 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.37 24.7 ttt -91.81 -16.47 26.75 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.824 1.046 . . . . 10.0 113.824 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -62.41 -38.04 88.14 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.145 -1.597 . . . . 10.0 107.653 166.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.542 1.537 . . . . 10.0 112.292 168.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.32 -50.12 72.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.652 1.569 . . . . 10.0 110.082 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.01 -38.04 87.43 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.705 -0.398 . . . . 10.0 110.748 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.66 -48.46 77.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.767 2.027 . . . . 10.0 112.768 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -36.06 34.45 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.431 1.014 . . . . 10.0 112.842 -171.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -66.68 -26.44 67.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.652 1.581 . . . . 10.0 110.951 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.55 -37.72 35.8 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.562 1.145 . . . . 10.0 111.073 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.52 -43.69 93.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.944 1.297 . . . . 10.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.5 -57.67 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 125.798 1.639 . . . . 10.0 108.366 169.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -39.15 85.11 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.982 0.913 . . . . 10.0 112.405 -172.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.22 64.66 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.071 -1.018 . . . . 10.0 112.017 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.385 3.2 t60 -71.61 -19.3 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.806 1.642 . . . . 10.0 112.004 170.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.43 -41.34 27.85 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.31 -1.494 . . . . 10.0 109.525 168.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.51 -37.69 85.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.466 1.485 . . . . 10.0 111.379 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.54 -22.78 66.74 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.086 -1.009 . . . . 10.0 110.068 168.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.12 -43.15 22.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 117.521 -1.228 . . . . 10.0 113.115 174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 m -59.98 -42.05 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 CA-C-N 120.604 1.547 . . . . 10.0 109.882 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 m -67.02 -39.49 87.07 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.901 -1.999 . . . . 10.0 109.122 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.73 76.43 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 122.301 2.319 . . . . 10.0 111.576 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -63.14 -42.48 99.49 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.982 0.81 . . . . 10.0 110.785 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.31 -34.12 74.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.224 2.21 . . . . 10.0 113.242 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.04 -38.74 69.47 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 125.894 1.677 . . . . 10.0 109.146 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.2 OUTLIER -66.97 -37.07 83.57 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.979 -0.534 . . . . 10.0 111.441 171.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.31 -30.51 71.37 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.846 -1.784 . . . . 10.0 112.658 171.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.33 -24.94 62.21 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.626 1.171 . . . . 10.0 112.298 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.77 48.74 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.544 -1.347 . . . . 10.0 112.082 169.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.2 -38.51 85.45 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.52 -1.362 . . . . 10.0 109.997 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -60.49 -21.79 62.8 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 117.791 -1.1 . . . . 10.0 112.216 169.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.87 -46.0 14.71 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.251 1.574 . . . . 10.0 115.251 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p -65.38 -19.78 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 120.915 -1.116 . . . . 10.0 111.477 169.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -47.57 81.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.561 1.544 . . . . 10.0 111.525 168.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.4 m -89.72 -37.62 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.376 1.47 . . . . 10.0 113.867 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -152.09 77.74 6.77 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.602 0.761 . . . . 10.0 111.072 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.272 6.2 Cg_endo -60.92 53.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 126.987 5.125 . . . . 10.0 117.653 -176.35 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 74.4 m-20 -73.67 148.26 42.93 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 120.271 -1.518 . . . . 10.0 108.309 167.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.2 m-20 -57.13 -25.82 59.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.17 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-O 116.275 -1.821 . . . . 10.0 114.842 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.22 -24.41 64.02 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 122.609 2.459 . . . . 10.0 109.623 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -77.59 -42.91 33.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.37 1.468 . . . . 10.0 111.222 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.0 m -65.74 -32.81 74.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.464 -1.398 . . . . 10.0 114.46 171.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 m -65.63 -29.82 70.45 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 129.647 3.179 . . . . 10.0 108.875 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -50.93 62.45 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 118.522 -1.271 . . . . 10.0 109.761 167.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -58.42 -26.7 63.57 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.477 1.111 . . . . 10.0 113.746 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.18 -45.04 50.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.089 2.555 . . . . 10.0 113.526 170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.36 -39.47 81.81 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.947 -1.096 . . . . 10.0 111.548 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.43 -30.75 71.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.421 2.689 . . . . 10.0 111.947 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.67 71.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.993 0.917 . . . . 10.0 111.484 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.22 74.17 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 120.372 1.442 . . . . 10.0 110.075 168.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.74 -37.11 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.146 1.794 . . . . 10.0 110.19 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -69.08 -39.06 79.28 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.177 1.353 . . . . 10.0 113.946 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -54.72 -54.64 39.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.203 1.401 . . . . 10.0 110.436 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.32 -42.83 99.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.961 2.904 . . . . 10.0 110.697 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.2 -43.27 71.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.723 1.609 . . . . 10.0 111.068 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 -48.77 79.23 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.11 0.964 . . . . 10.0 110.069 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -54.04 -60.34 3.45 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-O 116.968 -1.492 . . . . 10.0 108.985 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.462 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.18 -26.83 68.99 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 121.895 2.134 . . . . 10.0 114.851 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.41 -49.96 47.63 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 120.915 1.689 . . . . 10.0 110.842 168.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.61 75.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.237 1.019 . . . . 10.0 113.588 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.58 -53.19 11.09 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 130.84 3.656 . . . . 10.0 110.2 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.462 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.2 mttm -61.45 -28.88 69.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.888 0.875 . . . . 10.0 110.52 174.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.93 60.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.228 1.411 . . . . 10.0 113.414 169.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -55.67 -44.37 77.23 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 120.485 1.493 . . . . 10.0 107.71 169.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.8 -52.73 64.45 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 117.389 -1.291 . . . . 10.0 112.936 172.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.96 53.32 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 121.285 1.857 . . . . 10.0 114.253 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.68 -45.08 17.75 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.522 1.129 . . . . 10.0 113.851 169.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.06 -53.4 53.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.273 2.629 . . . . 10.0 112.384 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.2 -45.28 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 126.778 2.031 . . . . 10.0 107.878 -169.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 3.31 0.66 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.929 2.091 . . . . 10.0 115.152 171.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.84 -22.94 5.16 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.24 2.216 . . . . 10.0 113.216 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -27.98 62.24 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.014 1.326 . . . . 10.0 111.63 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.35 -23.51 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.87 2.868 . . . . 10.0 114.797 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.206 1.802 . . . . 10.0 113.2 -169.62 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -149.67 167.41 26.48 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.02 1.328 . . . . 10.0 111.443 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -64.37 -17.95 64.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.225 1.41 . . . . 10.0 114.602 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -150.06 169.69 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.847 1.659 . . . . 10.0 110.742 176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -148.86 164.03 35.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.111 1.364 . . . . 10.0 112.513 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -64.88 162.44 16.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.384 1.074 . . . . 10.0 113.496 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -65.29 162.02 18.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 10.0 113.054 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.49 174.6 47.07 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.403 1.478 . . . . 10.0 112.53 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -140.39 146.39 45.23 Favored Pre-proline 0 N--CA 1.48 1.073 0 C-N-CA 125.522 1.529 . . . . 10.0 111.806 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.55 171.27 18.55 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.601 2.867 . . . . 10.0 112.474 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -147.09 139.02 13.68 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 125.38 1.472 . . . . 10.0 110.554 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -52.37 141.23 51.26 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 124.261 3.307 . . . . 10.0 114.121 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -154.46 133.44 7.22 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.058 1.343 . . . . 10.0 110.558 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -81.11 138.24 11.21 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.22 2.614 . . . . 10.0 112.846 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.78 -46.15 0.4 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.846 1.258 . . . . 10.0 111.993 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -144.12 167.74 21.67 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.43 1.892 . . . . 10.0 111.139 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.34 175.03 46.71 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.866 1.222 . . . . 10.0 113.143 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 tp -150.98 145.49 25.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.281 1.433 . . . . 10.0 110.939 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -150.37 167.72 26.23 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.718 1.607 . . . . 10.0 111.793 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -59.6 150.8 26.26 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.133 1.373 . . . . 10.0 114.506 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 p -139.48 172.51 12.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.964 1.706 . . . . 10.0 111.671 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.29 -0.72 7.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.008 1.723 . . . . 10.0 113.811 -174.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 46.07 42.18 9.31 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.952 2.101 . . . . 10.0 114.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.73 -0.6 2.23 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -73.69 35.58 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 127.806 2.442 . . . . 10.0 114.126 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -55.51 141.31 37.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.404 1.482 . . . . 10.0 112.683 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.62 141.91 58.61 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.137 0.975 . . . . 10.0 112.836 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.05 153.48 8.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.599 1.571 . . . . 10.0 112.39 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -34.91 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -155.23 152.37 24.84 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.298 1.839 . . . . 10.0 110.661 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.54 -0.96 10.75 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 123.823 3.016 . . . . 10.0 114.514 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -119.67 18.98 12.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.728 1.611 . . . . 10.0 114.22 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -51.6 -38.94 56.86 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.404 27.0 ttt -87.14 -13.83 42.99 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.511 1.3 . . . . 10.0 114.511 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.7 m -67.61 -38.1 83.46 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.92 -1.738 . . . . 10.0 107.466 166.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -36.47 83.27 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.009 1.324 . . . . 10.0 111.891 168.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.83 -51.13 70.19 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.542 1.519 . . . . 10.0 109.991 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.16 -33.43 75.76 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.127 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.66 -48.52 66.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.189 2.196 . . . . 10.0 112.942 169.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -35.5 36.28 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.42 1.009 . . . . 10.0 112.555 -171.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -25.97 66.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.738 1.615 . . . . 10.0 110.706 171.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.11 -37.69 33.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.905 1.282 . . . . 10.0 111.319 168.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.68 -42.4 97.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.658 1.183 . . . . 10.0 111.47 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -56.65 3.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 126.145 1.778 . . . . 10.0 107.853 169.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -66.72 -38.82 87.46 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.139 0.976 . . . . 10.0 112.328 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.41 -40.02 58.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.6 1.091 . . . . 10.0 112.677 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.303 1.9 t60 -71.36 -19.97 62.22 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.81 1.244 . . . . 10.0 110.625 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.7 -44.44 33.5 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 120.348 -1.47 . . . . 10.0 109.529 168.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -66.66 -37.44 84.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.797 1.635 . . . . 10.0 111.445 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.03 -26.42 68.26 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 121.278 -0.889 . . . . 10.0 110.225 168.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.17 -50.87 20.18 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.105 -0.95 . . . . 10.0 112.938 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 m -58.38 -37.98 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 120.398 1.453 . . . . 10.0 110.306 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.1 m -68.52 -42.37 78.62 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 115.864 -2.017 . . . . 10.0 109.664 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.97 65.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.236 2.289 . . . . 10.0 111.25 171.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.27 -39.05 75.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.243 0.617 . . . . 10.0 112.368 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.1 -32.54 72.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.772 2.029 . . . . 10.0 112.827 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.32 -38.92 68.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.604 1.562 . . . . 10.0 109.301 172.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -67.15 -35.99 80.89 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.577 -0.725 . . . . 10.0 111.785 170.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -64.82 -31.25 72.39 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 119.911 -1.743 . . . . 10.0 112.402 171.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.47 -24.02 62.79 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.67 1.188 . . . . 10.0 112.337 169.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.17 -33.44 38.37 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.637 -1.29 . . . . 10.0 112.182 169.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -66.46 -38.39 87.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.359 -1.463 . . . . 10.0 109.858 169.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.34 -22.69 63.54 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.516 1.126 . . . . 10.0 112.106 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.91 -45.97 15.93 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 172.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.335 3.5 p -65.49 -19.74 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.019 -1.051 . . . . 10.0 111.388 169.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.42 -49.07 75.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.302 1.441 . . . . 10.0 111.308 167.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG13 ' HE3' ' A' ' 63' ' ' LYS . 19.0 m -87.13 -38.31 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.262 1.425 . . . . 10.0 113.809 -169.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -152.22 78.83 6.36 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 123.415 0.686 . . . . 10.0 110.853 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.9 Cg_endo -60.86 53.51 0.09 OUTLIER 'Trans proline' 0 CA--C 1.545 1.057 1 C-N-CA 127.061 5.174 . . . . 10.0 117.412 -176.655 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.6 m-20 -74.33 148.13 41.61 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 120.335 -1.478 . . . . 10.0 108.433 167.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.8 m-20 -57.86 -22.95 50.67 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -174.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.83 -41.66 88.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 CA-C-O 116.235 -1.84 . . . . 10.0 114.422 169.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -69.91 -25.55 63.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 122.71 2.504 . . . . 10.0 109.592 -175.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.7 mttt -76.4 -41.41 47.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.288 1.435 . . . . 10.0 111.139 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -67.25 -33.77 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.971 1.367 . . . . 10.0 114.228 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.4 m -65.33 -29.48 70.23 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 130.086 3.354 . . . . 10.0 108.847 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -51.36 58.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 118.698 -1.201 . . . . 10.0 109.783 167.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.94 -26.4 62.21 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 10.0 113.721 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -74.81 -45.67 41.88 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.959 2.504 . . . . 10.0 113.695 170.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -68.22 -37.89 81.33 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.756 -1.215 . . . . 10.0 111.266 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -62.61 -32.08 73.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.304 2.642 . . . . 10.0 111.85 169.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.51 69.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.394 1.077 . . . . 10.0 111.718 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -48.1 64.96 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 120.065 1.302 . . . . 10.0 109.528 168.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.7 t -54.42 -35.37 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 121.076 1.762 . . . . 10.0 110.188 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -69.96 -37.77 75.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.127 1.331 . . . . 10.0 114.292 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.1 m -56.27 -55.79 28.96 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.302 1.441 . . . . 10.0 110.619 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.26 -42.28 98.36 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 129.034 2.934 . . . . 10.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.52 -41.32 72.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.384 1.473 . . . . 10.0 110.892 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -58.07 -49.35 77.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.525 0.73 . . . . 10.0 109.891 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -53.4 -59.98 3.88 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 116.492 -1.718 . . . . 10.0 109.23 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.33 -29.47 70.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.615 1.552 . . . . 10.0 114.196 -171.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.56 -48.88 73.81 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 120.438 1.472 . . . . 10.0 110.45 169.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -28.25 67.01 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.715 1.258 . . . . 10.0 114.322 176.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.35 -48.89 18.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 127.925 2.49 . . . . 10.0 108.706 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -65.1 -30.58 71.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.395 1.078 . . . . 10.0 110.692 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -38.03 63.84 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 117.616 -1.183 . . . . 10.0 112.771 169.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.76 -48.47 69.68 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.699 -1.593 . . . . 10.0 106.699 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -50.86 69.94 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.781 -1.104 . . . . 10.0 112.002 175.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.85 -27.14 59.85 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.186 1.812 . . . . 10.0 114.961 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.19 -42.77 22.71 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 10.0 113.636 169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.89 -53.46 55.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.12 2.568 . . . . 10.0 112.481 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.29 -44.47 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 127.091 2.156 . . . . 10.0 108.169 -169.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.89 1.52 0.89 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.344 1.858 . . . . 10.0 114.957 171.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.63 -19.91 7.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.182 2.193 . . . . 10.0 113.429 171.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -27.26 65.77 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.452 1.101 . . . . 10.0 111.514 169.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -73.44 -21.57 60.43 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.94 2.896 . . . . 10.0 114.621 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.198 1.799 . . . . 10.0 113.146 -169.75 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.521 0.201 . . . . 10.0 110.852 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -60.86 -34.23 74.29 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.861 1.43 . . . . 10.0 114.861 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 t60 57.66 -23.08 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 129.06 2.944 . . . . 10.0 117.523 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 17.7 t60 -143.39 -161.86 1.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.089 2.156 . . . . 10.0 110.213 -177.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.64 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 71.6 m-70 65.8 1.46 1.82 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.787 2.435 . . . . 10.0 115.342 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.73 -20.08 2.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.398 1.879 . . . . 10.0 112.427 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -154.78 158.09 38.95 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.784 2.034 . . . . 10.0 109.885 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.96 173.7 45.23 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.716 1.151 . . . . 10.0 113.29 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -142.44 150.08 53.37 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 126.355 1.862 . . . . 10.0 111.267 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.02 152.2 62.56 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.023 2.482 . . . . 10.0 112.146 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.65 150.36 93.42 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 124.419 1.087 . . . . 10.0 111.817 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.08 162.44 38.23 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.946 3.764 . . . . 10.0 113.404 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -146.99 133.2 9.58 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.788 1.235 . . . . 10.0 111.022 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.72 179.0 6.93 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.057 3.171 . . . . 10.0 113.21 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.98 140.23 52.79 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 10.0 111.454 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -76.94 174.9 10.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.622 1.569 . . . . 10.0 113.765 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.34 175.47 41.78 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.05 1.309 . . . . 10.0 113.258 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -140.93 170.84 14.97 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.217 1.807 . . . . 10.0 111.515 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -121.95 12.3 10.44 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.798 1.639 . . . . 10.0 112.647 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -152.47 175.27 12.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.181 1.793 . . . . 10.0 111.286 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -64.88 168.85 5.79 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.018 1.327 . . . . 10.0 112.976 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -146.81 165.42 29.74 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.246 1.418 . . . . 10.0 112.794 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -81.13 4.27 20.63 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.186 1.55 . . . . 10.0 115.186 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.9 119.19 6.29 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.83 1.252 . . . . 10.0 111.762 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -72.28 166.23 22.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.161 0.984 . . . . 10.0 112.984 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -60.81 158.83 12.18 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.299 1.44 . . . . 10.0 113.876 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -132.79 16.0 4.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.519 1.528 . . . . 10.0 112.695 -175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.15 47.85 3.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 126.097 1.808 . . . . 10.0 114.785 -174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -144.39 148.6 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.855 1.662 . . . . 10.0 110.927 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -64.29 143.91 98.42 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.483 -0.761 . . . . 10.0 111.483 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.56 -39.64 0.71 Allowed 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 121.485 1.457 . . . . 10.0 113.941 -171.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -52.7 -38.28 60.4 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 116.14 1.904 . . . . 10.0 116.14 -168.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.7 p -66.51 -31.04 71.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.212 0.915 . . . . 10.0 113.112 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.399 20.7 ttt -95.58 -16.02 22.41 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.753 1.02 . . . . 10.0 113.753 170.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -62.72 -37.26 85.83 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.257 -1.527 . . . . 10.0 107.058 166.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -36.83 85.35 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.389 1.476 . . . . 10.0 112.088 168.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.73 -50.51 72.98 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.862 1.665 . . . . 10.0 109.963 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.81 -41.2 92.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.464 -0.495 . . . . 10.0 110.459 -170.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.29 -47.18 86.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.481 2.713 . . . . 10.0 113.425 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -35.97 32.58 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.143 -0.973 . . . . 10.0 113.046 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -30.1 69.97 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.632 1.573 . . . . 10.0 109.943 169.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.32 -39.95 67.82 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.807 -1.183 . . . . 10.0 111.475 168.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.01 -40.17 96.97 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.751 0.705 . . . . 10.0 112.023 172.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -57.93 3.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 124.973 1.309 . . . . 10.0 108.237 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -37.9 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.026 0.53 . . . . 10.0 112.027 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.85 55.08 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.911 -1.118 . . . . 10.0 112.489 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.298 2.1 t60 -72.07 -20.48 61.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.743 1.217 . . . . 10.0 110.389 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.86 -44.2 33.14 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 120.228 -1.545 . . . . 10.0 109.7 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.98 -39.76 90.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.374 1.443 . . . . 10.0 110.938 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -63.7 -26.5 68.69 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.422 -0.799 . . . . 10.0 110.32 168.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 tp -72.3 -50.12 29.41 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.777 -1.106 . . . . 10.0 112.707 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -59.18 -39.24 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 121.288 1.858 . . . . 10.0 110.459 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -64.87 -41.79 95.37 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 116.495 -1.717 . . . . 10.0 108.88 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.64 79.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 122.053 2.206 . . . . 10.0 112.084 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -42.99 99.83 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.033 0.833 . . . . 10.0 110.142 169.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -67.75 -35.13 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.485 1.914 . . . . 10.0 113.225 178.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.9 mmpt? -70.58 -39.0 74.14 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.625 1.57 . . . . 10.0 109.153 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -66.65 -36.72 83.24 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 118.938 -0.553 . . . . 10.0 111.528 171.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 119.852 -1.78 . . . . 10.0 112.554 172.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.09 -25.24 62.52 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.521 1.128 . . . . 10.0 112.358 169.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.03 -33.88 50.85 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.804 -1.185 . . . . 10.0 112.07 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.06 -38.75 86.36 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.456 -1.402 . . . . 10.0 110.035 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -60.37 -22.05 62.84 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.453 1.101 . . . . 10.0 112.265 169.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.56 -46.42 14.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.339 3.8 p -64.89 -19.76 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.078 -1.014 . . . . 10.0 111.366 169.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.64 -49.37 73.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.51 1.524 . . . . 10.0 111.538 167.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 m -87.26 -38.2 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.431 1.492 . . . . 10.0 113.915 -169.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -152.26 78.5 6.43 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.486 0.714 . . . . 10.0 110.814 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 5.3 Cg_endo -60.83 56.46 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.989 1 C-N-CA 126.927 5.085 . . . . 10.0 117.268 -176.534 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -75.12 148.3 39.8 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.43 -1.419 . . . . 10.0 108.708 167.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.2 t70 -55.75 -29.46 59.59 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.43 0.692 . . . . 10.0 112.741 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.42 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.128 0 CA-C-O 116.326 -1.797 . . . . 10.0 114.977 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -68.9 -24.17 64.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 122.555 2.434 . . . . 10.0 109.508 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.8 mttt -79.12 -41.52 28.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.136 1.374 . . . . 10.0 111.05 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.6 -33.31 75.37 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.486 -1.384 . . . . 10.0 114.563 171.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -29.8 70.79 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 129.496 3.118 . . . . 10.0 108.826 169.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.71 58.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.464 -1.294 . . . . 10.0 109.915 167.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -58.22 -26.43 62.83 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.622 1.169 . . . . 10.0 113.704 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -74.36 -45.84 44.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.03 2.532 . . . . 10.0 113.731 170.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.91 -39.61 83.54 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.969 -1.082 . . . . 10.0 111.419 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -62.16 -31.04 71.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.423 2.689 . . . . 10.0 112.047 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.69 -35.43 72.8 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.3 -0.857 . . . . 10.0 111.615 169.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.84 72.56 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 120.332 1.424 . . . . 10.0 110.334 168.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.86 -38.0 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 120.885 1.675 . . . . 10.0 110.214 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -69.14 -39.36 78.9 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.166 1.348 . . . . 10.0 113.983 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -54.42 -55.16 31.55 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.081 1.352 . . . . 10.0 110.405 169.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.51 -43.35 99.02 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 129.148 2.979 . . . . 10.0 111.028 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.54 -42.5 71.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 10.0 111.106 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -57.54 -49.6 75.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.769 0.827 . . . . 10.0 110.034 172.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -53.5 -60.51 3.21 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 116.51 -1.71 . . . . 10.0 108.905 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD13 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.15 -29.18 70.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 121.463 1.938 . . . . 10.0 114.746 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.12 -50.5 56.87 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 120.949 1.704 . . . . 10.0 111.051 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.49 81.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.012 0.906 . . . . 10.0 113.126 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.1 -52.35 24.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 130.446 3.498 . . . . 10.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' A' ' 91' ' ' LEU . 72.0 mttt -61.96 -30.26 70.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.232 1.013 . . . . 10.0 110.707 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.32 64.07 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.907 1.283 . . . . 10.0 113.171 169.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -58.99 -44.32 91.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 120.217 1.371 . . . . 10.0 107.856 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.15 -51.51 69.71 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 117.277 -1.344 . . . . 10.0 112.648 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.54 -24.52 56.55 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 121.443 1.929 . . . . 10.0 114.085 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.8 -45.09 17.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.323 1.049 . . . . 10.0 113.589 168.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.66 -53.48 54.21 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.833 2.453 . . . . 10.0 112.523 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.32 -45.66 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.075 2.15 . . . . 10.0 107.885 -169.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.94 2.15 0.78 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.713 2.005 . . . . 10.0 115.199 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.76 -22.57 5.76 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.106 2.163 . . . . 10.0 113.126 173.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.68 -24.32 56.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.052 1.341 . . . . 10.0 111.682 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -79.65 -9.86 59.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 129.475 3.11 . . . . 10.0 115.179 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.127 1.371 . . . . 10.0 113.207 -168.627 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 111.351 0.13 . . . . 10.0 111.351 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -139.91 161.28 37.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.213 1.405 . . . . 10.0 111.344 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -63.93 130.42 44.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.934 0.894 . . . . 10.0 111.72 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -146.24 9.88 1.11 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.569 1.147 . . . . 10.0 114.012 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -67.25 163.75 19.79 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.773 1.229 . . . . 10.0 113.223 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -150.0 165.61 32.18 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.49 1.516 . . . . 10.0 110.802 172.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -148.7 157.75 43.67 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 10.0 112.039 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.37 178.4 48.69 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.947 1.26 . . . . 10.0 113.183 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -141.31 148.84 52.68 Favored Pre-proline 0 N--CA 1.48 1.057 0 C-N-CA 125.634 1.574 . . . . 10.0 111.645 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.12 -15.44 16.27 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.381 2.721 . . . . 10.0 113.627 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.7 159.46 71.31 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 127.183 2.193 . . . . 10.0 110.33 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.08 142.5 8.37 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.011 3.808 . . . . 10.0 114.613 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -56.56 137.07 77.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.191 0.997 . . . . 10.0 113.536 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -47.59 -22.25 2.79 Favored 'Trans proline' 0 C--N 1.354 0.841 1 C-N-CA 125.523 4.149 . . . . 10.0 117.607 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.75 -22.41 1.39 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.748 1.619 . . . . 10.0 114.971 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.59 -14.17 48.96 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.048 1.499 . . . . 10.0 115.048 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.06 21.65 0.98 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 115.83 1.092 . . . . 10.0 115.83 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.89 168.82 10.94 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.635 1.217 . . . . 10.0 112.509 170.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.46 161.89 6.94 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.664 1.186 . . . . 10.0 113.706 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -148.95 168.78 22.17 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.518 1.127 . . . . 10.0 113.642 -172.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 p -140.9 173.89 11.04 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.185 2.194 . . . . 10.0 110.547 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -140.71 155.32 46.5 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.249 1.02 . . . . 10.0 112.754 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -158.79 175.28 13.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.911 1.684 . . . . 10.0 112.34 -174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.32 151.92 26.44 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.679 1.191 . . . . 10.0 111.566 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -133.27 158.55 42.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.984 1.313 . . . . 10.0 113.02 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -61.4 144.29 54.33 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.289 1.435 . . . . 10.0 113.621 -173.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -164.13 174.33 11.39 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.409 1.884 . . . . 10.0 110.935 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.1 166.19 35.05 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.379 0.99 . . . . 10.0 113.246 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.72 -31.16 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.268 1.027 . . . . 10.0 113.766 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -149.54 149.82 29.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.066 1.746 . . . . 10.0 110.801 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.65 148.38 47.08 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.27 2.647 . . . . 10.0 111.951 171.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -67.02 -9.87 43.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -54.76 -32.93 60.63 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.178 -0.951 . . . . 10.0 113.489 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.392 28.4 ttt -82.03 -14.27 56.16 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.633 1.346 . . . . 10.0 114.633 175.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -68.4 -38.52 81.37 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.875 -1.766 . . . . 10.0 107.283 167.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -34.54 78.5 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.972 1.309 . . . . 10.0 112.283 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.16 -50.21 73.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 121.094 1.77 . . . . 10.0 109.941 169.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.89 -34.19 77.56 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 121.178 0.513 . . . . 10.0 111.318 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -68.8 -46.68 68.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.347 2.659 . . . . 10.0 113.398 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.87 -37.51 29.71 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.948 -1.095 . . . . 10.0 113.604 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -25.14 67.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.321 1.449 . . . . 10.0 110.801 171.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.84 -41.46 26.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.285 1.434 . . . . 10.0 111.604 169.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.57 -40.11 82.19 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.836 0.854 . . . . 10.0 111.874 171.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.89 -57.86 2.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 125.209 1.403 . . . . 10.0 108.413 169.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.21 -40.52 90.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.434 1.094 . . . . 10.0 112.31 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -36.57 58.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.053 -1.03 . . . . 10.0 112.414 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.304 2.1 t60 -72.63 -19.97 61.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.862 1.265 . . . . 10.0 110.716 169.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.11 -43.02 30.13 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 120.192 -1.567 . . . . 10.0 109.931 168.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.74 -39.84 91.54 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.927 1.24 . . . . 10.0 110.996 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.11 -23.74 67.43 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.131 -0.981 . . . . 10.0 110.449 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.56 -42.27 35.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 117.681 -1.152 . . . . 10.0 113.628 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.06 -43.0 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 120.773 1.624 . . . . 10.0 110.381 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.5 m -65.37 -40.05 93.04 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 116.443 -1.741 . . . . 10.0 108.278 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.39 78.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.904 2.138 . . . . 10.0 111.698 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -62.06 -42.85 99.62 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.709 0.766 . . . . 10.0 110.727 169.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.39 -34.95 75.27 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.831 2.052 . . . . 10.0 113.348 179.179 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.5 mmpt? -70.74 -38.5 73.55 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.94 1.696 . . . . 10.0 109.14 172.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.2 OUTLIER -67.23 -36.84 82.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.016 -0.516 . . . . 10.0 111.484 172.373 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 119.902 -1.749 . . . . 10.0 112.782 171.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.23 -24.69 62.24 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.602 1.161 . . . . 10.0 112.411 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.06 49.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.628 -1.295 . . . . 10.0 111.843 169.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.24 -38.75 85.69 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.547 -1.345 . . . . 10.0 109.88 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HE3' HG11 ' A' ' 67' ' ' VAL . 13.3 tptt -60.18 -23.51 64.02 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 124.269 1.028 . . . . 10.0 112.006 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.7 -44.16 19.18 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.94 1.459 . . . . 10.0 114.94 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 3.7 p -66.63 -19.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.02 -1.05 . . . . 10.0 111.45 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.77 -49.33 73.41 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.417 -1.427 . . . . 10.0 111.055 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 HG11 ' HE3' ' A' ' 63' ' ' LYS . 19.7 m -87.04 -37.78 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.406 . . . . 10.0 113.677 -169.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.71 75.96 7.56 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.652 0.781 . . . . 10.0 111.694 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.266 7.1 Cg_endo -61.5 51.15 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.06 1 C-N-CA 126.947 5.098 . . . . 10.0 117.851 -176.076 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.7 m-20 -73.48 149.56 42.24 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 120.18 -1.575 . . . . 10.0 108.21 167.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 79.6 m-20 -57.22 -23.2 46.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.65 -42.77 93.47 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 CA-C-O 116.272 -1.823 . . . . 10.0 114.383 169.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -69.51 -23.98 63.69 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 122.741 2.519 . . . . 10.0 109.953 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.8 mttt -77.56 -41.47 38.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.319 1.448 . . . . 10.0 111.304 170.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -33.0 74.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.417 -1.427 . . . . 10.0 114.218 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.5 m -64.93 -31.02 72.06 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 129.52 3.128 . . . . 10.0 108.349 168.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -52.01 50.12 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.802 -1.159 . . . . 10.0 109.756 167.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.76 -24.8 52.57 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.892 1.277 . . . . 10.0 114.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.75 -45.56 20.85 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 129.385 3.074 . . . . 10.0 113.83 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -67.17 -38.51 85.57 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 120.834 -1.166 . . . . 10.0 111.244 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.94 -31.92 73.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.288 2.635 . . . . 10.0 111.809 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 -34.88 72.59 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.667 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.51 70.91 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 120.47 1.486 . . . . 10.0 110.399 169.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.23 -37.64 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.875 1.671 . . . . 10.0 110.23 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -69.11 -39.53 78.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.995 1.271 . . . . 10.0 114.074 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -53.94 -55.07 30.39 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.354 1.462 . . . . 10.0 110.348 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.59 -44.25 96.79 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 129.424 3.09 . . . . 10.0 111.145 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -43.54 73.26 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.771 1.628 . . . . 10.0 110.802 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.7 m -58.33 -48.02 81.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.992 0.917 . . . . 10.0 110.27 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.41 -60.42 3.37 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 116.779 -1.581 . . . . 10.0 108.83 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.7 mm? -61.63 -29.13 69.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 121.469 1.94 . . . . 10.0 114.636 -172.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.03 -50.17 53.72 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 121.022 1.737 . . . . 10.0 111.322 169.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -31.87 73.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.671 1.235 . . . . 10.0 113.728 175.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.32 -52.88 9.76 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 130.508 3.523 . . . . 10.0 109.983 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.1 mttt -62.03 -30.42 70.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.436 1.095 . . . . 10.0 110.613 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -36.64 62.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.118 1.367 . . . . 10.0 113.248 169.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.24 -45.42 79.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 120.374 1.443 . . . . 10.0 107.593 169.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.24 -52.57 64.78 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 117.493 -1.241 . . . . 10.0 112.696 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 121.386 1.903 . . . . 10.0 114.471 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.66 -45.79 16.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.603 1.161 . . . . 10.0 113.803 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.77 -53.14 56.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.64 2.776 . . . . 10.0 112.557 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.02 -43.94 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 126.514 1.925 . . . . 10.0 107.788 -169.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.38 6.79 0.39 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.983 2.113 . . . . 10.0 115.21 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.21 -23.04 3.94 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.482 2.313 . . . . 10.0 113.045 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -27.41 61.98 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.02 1.328 . . . . 10.0 111.633 169.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -71.29 -19.95 62.27 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 129.074 2.949 . . . . 10.0 114.906 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.103 1.761 . . . . 10.0 113.35 -169.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -137.5 173.03 12.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.816 1.646 . . . . 10.0 111.055 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -145.8 143.96 30.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.11 0.964 . . . . 10.0 112.463 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -149.44 1.69 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -69.17 -16.59 63.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.885 1.439 . . . . 10.0 114.885 -169.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -68.51 85.79 0.29 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.951 1.7 . . . . 10.0 112.066 173.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -147.67 164.3 33.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.396 1.879 . . . . 10.0 110.438 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.27 31.6 0.28 Allowed Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -136.48 149.61 68.02 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 125.538 1.535 . . . . 10.0 111.686 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.02 167.87 26.22 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.368 2.712 . . . . 10.0 112.132 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.49 136.59 11.3 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.561 1.145 . . . . 10.0 111.45 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.5 177.72 8.41 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.335 3.357 . . . . 10.0 112.72 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -135.72 133.2 19.93 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.985 1.314 . . . . 10.0 110.089 171.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.45 155.42 32.1 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.068 2.512 . . . . 10.0 112.693 -176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.4 mt -144.28 146.05 32.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.132 1.773 . . . . 10.0 110.189 173.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.8 tp -159.45 -42.07 0.05 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.789 1.236 . . . . 10.0 112.52 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.5 175.93 48.26 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.272 0.939 . . . . 10.0 113.238 -170.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -151.19 143.0 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.199 1.4 . . . . 10.0 110.568 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -148.39 154.17 39.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.137 1.375 . . . . 10.0 111.235 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.0 p -145.76 8.7 1.14 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.845 2.058 . . . . 10.0 112.959 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -66.01 97.93 0.4 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.842 1.657 . . . . 10.0 112.342 -175.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -150.87 102.14 2.96 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.189 1.396 . . . . 10.0 110.375 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -154.29 142.27 20.2 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.974 1.31 . . . . 10.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.1 mt -140.0 -81.73 0.27 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.325 1.45 . . . . 10.0 109.891 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 34.33 56.52 0.66 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.819 2.448 . . . . 10.0 115.494 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -142.06 175.03 10.05 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.822 1.249 . . . . 10.0 112.846 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -74.05 38.98 0.11 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.841 2.056 . . . . 10.0 114.179 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.61 28.39 1.28 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 126.087 1.803 . . . . 10.0 116.137 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.2 tp -151.65 142.1 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.114 1.766 . . . . 10.0 110.636 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -71.0 145.27 91.33 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.727 0.811 . . . . 10.0 112.246 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.97 -8.1 16.55 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.328 2.686 . . . . 10.0 114.527 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.08 -37.7 54.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.472 1.509 . . . . 10.0 114.962 -169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 p -61.03 -32.28 71.89 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.386 66.3 ttp -93.84 -13.53 27.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -65.73 -39.12 90.81 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 119.972 -1.705 . . . . 10.0 107.016 166.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -37.61 86.39 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.504 1.522 . . . . 10.0 112.335 169.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.4 -50.44 71.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.575 1.534 . . . . 10.0 110.076 170.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.22 -36.45 83.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.911 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -48.07 74.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.008 2.123 . . . . 10.0 112.836 169.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.4 -35.74 34.83 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 119.476 1.034 . . . . 10.0 112.775 -171.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.36 -26.99 67.53 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.669 1.588 . . . . 10.0 110.756 170.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -79.24 -36.66 39.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.435 1.094 . . . . 10.0 111.416 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.17 -42.57 98.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.771 1.228 . . . . 10.0 111.232 173.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -55.52 5.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 C-N-CA 126.04 1.736 . . . . 10.0 108.522 169.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.53 -39.55 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.906 1.282 . . . . 10.0 112.647 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.37 59.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 10.0 112.363 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.3 2.0 t60 -75.41 -22.7 57.21 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.345 1.458 . . . . 10.0 111.119 171.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -74.46 -40.03 62.14 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.114 -1.616 . . . . 10.0 109.17 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -35.96 65.78 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.281 -0.887 . . . . 10.0 111.045 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.93 -24.52 66.84 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 167.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -74.69 -47.47 31.47 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.635 -1.174 . . . . 10.0 113.257 171.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.53 -39.71 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 121.429 1.922 . . . . 10.0 109.956 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.8 m -67.0 -41.45 86.69 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 116.215 -1.85 . . . . 10.0 109.411 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.25 78.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 122.296 2.316 . . . . 10.0 111.721 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.824 0.738 . . . . 10.0 110.191 169.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.68 -38.35 89.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.443 1.897 . . . . 10.0 113.016 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.8 mmpt? -69.02 -39.87 78.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.584 1.954 . . . . 10.0 109.472 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.99 -34.3 77.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 118.697 -0.668 . . . . 10.0 111.375 171.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 2.3 ttpt -66.16 -32.75 74.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 119.981 -1.699 . . . . 10.0 112.907 170.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.19 -23.74 64.88 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.232 0.924 . . . . 10.0 111.758 169.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.91 37.36 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.611 -1.306 . . . . 10.0 112.175 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.87 -37.66 84.85 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.421 -1.424 . . . . 10.0 110.082 169.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 16.7 tptt -57.21 -38.05 73.13 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.294 1.037 . . . . 10.0 110.415 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.34 76.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.197 0.814 . . . . 10.0 113.197 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.319 4.1 p -77.21 -21.75 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 118.869 0.759 . . . . 10.0 112.534 169.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.44 -37.96 89.35 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.051 -1.655 . . . . 10.0 111.607 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.7 p -110.61 -24.73 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 117.44 2.385 . . . . 10.0 117.44 -166.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -151.36 72.17 8.37 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.251 0.621 . . . . 10.0 112.152 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 5.0 Cg_endo -59.0 50.51 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.173 1 C-N-CA 127.641 5.56 . . . . 10.0 119.036 -173.475 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.41 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.2 m-20 -73.6 149.79 41.85 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 119.96 -1.713 . . . . 10.0 108.769 167.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.0 m-20 -57.85 -23.25 51.99 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -174.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.67 -40.5 86.31 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 CA-C-O 116.153 -1.879 . . . . 10.0 114.35 169.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -70.15 -25.46 63.48 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 122.804 2.547 . . . . 10.0 110.039 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -75.92 -40.73 53.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.605 1.562 . . . . 10.0 111.218 170.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -69.04 -33.41 73.57 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.987 1.375 . . . . 10.0 114.411 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 m -65.47 -28.86 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.082 3.353 . . . . 10.0 108.978 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -51.55 59.91 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 118.395 -1.322 . . . . 10.0 109.634 167.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.47 -26.43 63.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.668 1.187 . . . . 10.0 113.702 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -74.3 -45.5 47.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.99 2.516 . . . . 10.0 113.795 170.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.55 -39.09 81.22 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.86 -1.15 . . . . 10.0 111.457 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -62.62 -29.8 70.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.242 2.617 . . . . 10.0 111.679 169.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.46 67.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.078 0.951 . . . . 10.0 111.75 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.63 65.56 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 120.179 1.354 . . . . 10.0 109.596 168.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.1 t -51.91 -38.92 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 121.067 1.758 . . . . 10.0 109.891 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t -68.09 -38.12 81.98 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.31 1.414 . . . . 10.0 113.894 174.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 m -55.77 -55.01 37.38 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.213 1.405 . . . . 10.0 110.641 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -42.4 99.04 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.249 3.02 . . . . 10.0 111.228 -175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.81 -41.99 70.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.364 1.865 . . . . 10.0 110.801 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.7 m -58.2 -48.79 79.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.891 0.876 . . . . 10.0 110.128 171.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -53.9 -60.26 3.56 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-O 117.113 -1.422 . . . . 10.0 109.027 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.418 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.65 -27.18 69.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 121.609 2.004 . . . . 10.0 114.719 -170.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.03 -49.92 50.37 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 120.659 1.572 . . . . 10.0 110.866 168.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -32.07 73.38 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.23 1.015 . . . . 10.0 113.699 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.0 -52.48 10.14 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 130.698 3.599 . . . . 10.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HE2' HD12 ' A' ' 91' ' ' LEU . 43.3 mttm -61.35 -29.09 69.69 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.993 0.917 . . . . 10.0 110.502 173.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -37.66 60.43 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.351 1.461 . . . . 10.0 113.268 169.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.26 -44.09 79.39 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.632 1.56 . . . . 10.0 107.867 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.35 -52.64 64.77 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.314 -1.327 . . . . 10.0 112.529 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.48 -24.53 46.67 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 121.527 1.967 . . . . 10.0 114.351 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.72 -45.76 16.58 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.57 1.148 . . . . 10.0 113.544 168.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.34 55.4 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.275 2.63 . . . . 10.0 112.645 174.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.68 -44.16 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 C-N-CA 126.913 2.085 . . . . 10.0 107.779 -169.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 3.33 0.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.033 2.133 . . . . 10.0 115.158 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.96 -23.31 5.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.17 2.188 . . . . 10.0 113.183 171.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.97 -27.06 63.1 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.828 1.251 . . . . 10.0 111.831 169.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -72.22 -23.29 61.22 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 128.58 2.752 . . . . 10.0 114.783 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.254 1.32 0 C-N-CA 126.094 1.758 . . . . 10.0 113.256 -169.518 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -131.44 14.07 5.01 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.937 1.295 . . . . 10.0 113.44 -173.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -132.35 26.97 4.47 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.629 1.572 . . . . 10.0 112.286 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -131.33 105.42 7.62 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.83 1.652 . . . . 10.0 109.731 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -155.5 167.9 28.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.855 1.262 . . . . 10.0 112.619 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -64.41 149.5 48.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.01 1.324 . . . . 10.0 112.292 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -146.97 18.54 1.25 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.501 1.12 . . . . 10.0 113.413 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.56 156.95 48.26 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 120.615 -1.303 . . . . 10.0 112.567 171.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.86 148.63 65.93 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.069 1.348 . . . . 10.0 111.681 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.81 155.12 63.06 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.068 2.512 . . . . 10.0 113.236 -170.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 tp -154.56 143.89 15.12 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 126.019 1.728 . . . . 10.0 109.998 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.31 150.69 14.42 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.549 3.499 . . . . 10.0 114.082 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -61.0 143.51 91.86 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.041 0.937 . . . . 10.0 112.085 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.36 161.33 42.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.326 2.684 . . . . 10.0 112.419 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.34 135.48 21.48 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.182 1.393 . . . . 10.0 110.251 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.4 mt -78.63 173.78 12.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.866 1.266 . . . . 10.0 112.728 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.67 166.23 37.24 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.696 1.141 . . . . 10.0 113.396 174.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 tp -155.94 153.66 29.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.75 1.62 . . . . 10.0 110.773 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -145.39 146.03 31.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.394 1.478 . . . . 10.0 110.768 173.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.7 p -158.55 175.63 13.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.909 1.284 . . . . 10.0 112.873 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.9 p -133.64 161.93 33.32 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.807 1.643 . . . . 10.0 111.704 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.27 126.19 26.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.37 1.068 . . . . 10.0 113.194 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.94 149.99 49.85 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.605 1.162 . . . . 10.0 113.477 174.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -138.95 156.85 46.92 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.861 1.664 . . . . 10.0 110.651 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -143.68 166.91 23.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.802 1.241 . . . . 10.0 112.71 -170.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -70.31 178.28 2.94 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.741 1.616 . . . . 10.0 113.756 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -118.04 168.23 10.73 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.801 1.64 . . . . 10.0 111.992 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.31 176.78 47.05 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.676 1.132 . . . . 10.0 115.138 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.41 157.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.114 1.366 . . . . 10.0 112.584 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.96 152.39 50.29 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.45 1.1 . . . . 10.0 113.53 175.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.09 175.87 8.57 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.83 3.02 . . . . 10.0 113.362 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 69.64 4.59 4.77 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.103 2.161 . . . . 10.0 116.239 171.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -58.61 -38.95 79.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.611 -1.306 . . . . 10.0 112.53 172.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.367 64.7 ttp -83.51 -15.6 48.8 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.06 -38.97 93.0 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.116 -1.615 . . . . 10.0 107.976 167.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.72 -37.87 88.97 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.152 1.381 . . . . 10.0 112.193 169.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -56.62 -49.87 73.68 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 120.712 1.596 . . . . 10.0 110.335 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.11 -30.94 71.09 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 120.573 -0.451 . . . . 10.0 111.522 -169.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.19 -45.66 55.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.154 2.181 . . . . 10.0 112.834 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 -35.83 33.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.831 1.196 . . . . 10.0 113.063 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.29 -27.54 67.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.235 1.414 . . . . 10.0 110.545 169.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.42 -38.04 56.17 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.779 1.232 . . . . 10.0 111.052 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.3 -42.96 99.53 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.753 1.221 . . . . 10.0 111.199 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.27 -57.35 2.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 125.784 1.633 . . . . 10.0 108.567 169.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -34.35 73.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.192 0.597 . . . . 10.0 112.317 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.74 42.07 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.66 -1.275 . . . . 10.0 112.193 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.309 2.1 t60 -69.73 -21.69 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.004 1.322 . . . . 10.0 110.921 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.58 -43.27 39.51 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 120.137 -1.602 . . . . 10.0 109.876 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.41 -39.12 91.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.284 1.402 . . . . 10.0 111.045 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.85 -24.88 67.92 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.118 -0.989 . . . . 10.0 110.218 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.72 -42.75 33.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.52 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 m -61.08 -41.73 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 120.713 1.597 . . . . 10.0 110.345 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -66.73 -38.75 87.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 116.197 -1.858 . . . . 10.0 109.305 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.07 78.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.352 1.887 . . . . 10.0 111.226 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -62.4 -47.96 81.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.856 0.753 . . . . 10.0 110.202 169.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -29.35 70.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.119 2.167 . . . . 10.0 113.194 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -78.65 -40.31 34.53 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.956 2.102 . . . . 10.0 109.95 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.459 0.0 OUTLIER -68.51 -32.82 73.06 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.298 -0.858 . . . . 10.0 111.273 169.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -67.61 -33.59 75.3 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.217 -2.177 . . . . 10.0 113.64 169.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -24.1 61.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.354 1.062 . . . . 10.0 112.239 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.64 39.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.457 -1.402 . . . . 10.0 111.415 168.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -67.5 -38.19 83.95 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.265 -1.522 . . . . 10.0 109.507 169.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 15.1 tptt -56.8 -36.63 70.12 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 123.611 0.764 . . . . 10.0 110.44 169.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.35 -40.02 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.316 3.5 p -75.63 -21.68 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 121.479 -0.763 . . . . 10.0 112.515 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.67 -39.24 93.32 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.009 -1.682 . . . . 10.0 111.634 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.8 p -108.71 -24.66 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 117.398 2.37 . . . . 10.0 117.398 -166.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -151.35 72.1 8.37 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.36 0.664 . . . . 10.0 112.206 169.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.276 4.5 Cg_endo -59.43 54.22 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.049 1 C-N-CA 127.421 5.414 . . . . 10.0 119.027 -173.169 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -75.33 151.73 38.22 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 119.866 -1.771 . . . . 10.0 108.62 167.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.04 -33.07 37.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.943 1.297 . . . . 10.0 114.333 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.93 -38.79 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 115.894 -2.003 . . . . 10.0 113.997 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.09 -24.19 64.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 122.662 2.483 . . . . 10.0 109.955 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -79.18 -38.1 36.7 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.156 1.383 . . . . 10.0 111.259 171.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.3 m -71.22 -35.44 71.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.9 1.333 . . . . 10.0 114.196 172.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m -62.76 -28.9 70.29 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 130.032 3.333 . . . . 10.0 108.688 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -53.41 48.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 118.723 -1.191 . . . . 10.0 110.557 167.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.01 -27.22 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.075 1.35 . . . . 10.0 113.122 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.86 -45.46 61.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.8 2.44 . . . . 10.0 113.417 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.7 -40.7 79.91 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.571 1.177 . . . . 10.0 111.842 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -64.23 -28.62 69.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.304 2.641 . . . . 10.0 111.792 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.86 64.71 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 10.0 111.447 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.12 74.75 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 120.012 1.278 . . . . 10.0 109.13 168.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.21 -39.62 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.887 1.676 . . . . 10.0 110.661 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -68.45 -38.23 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.995 1.271 . . . . 10.0 114.011 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -55.08 -55.1 34.78 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.324 1.45 . . . . 10.0 110.489 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -43.63 98.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.448 3.099 . . . . 10.0 111.247 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.22 -43.11 71.32 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.832 1.653 . . . . 10.0 110.832 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.6 m -57.79 -49.46 76.54 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.735 0.814 . . . . 10.0 110.091 172.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -53.17 -60.45 3.28 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 116.566 -1.683 . . . . 10.0 108.95 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.99 -30.06 71.3 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 121.397 1.908 . . . . 10.0 114.721 -171.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.29 -50.48 59.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 120.955 1.707 . . . . 10.0 111.149 169.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.48 80.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 117.957 0.878 . . . . 10.0 113.209 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.74 -52.31 21.65 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.529 3.531 . . . . 10.0 110.154 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE3' HD11 ' A' ' 91' ' ' LEU . 71.6 mttt -61.28 -30.26 70.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.405 1.082 . . . . 10.0 110.601 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -35.09 61.65 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.35 1.46 . . . . 10.0 113.782 169.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.77 -43.49 90.41 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 120.323 1.419 . . . . 10.0 107.463 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.75 -51.9 68.01 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 117.366 -1.302 . . . . 10.0 112.733 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.08 58.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 121.368 1.895 . . . . 10.0 114.165 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.62 -43.99 19.6 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.414 1.086 . . . . 10.0 113.7 169.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -53.2 59.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.002 2.521 . . . . 10.0 112.752 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.52 -44.37 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 126.937 2.095 . . . . 10.0 108.137 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.77 1.83 0.57 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.466 2.306 . . . . 10.0 115.247 171.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -123.05 -23.05 5.04 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.386 2.274 . . . . 10.0 113.171 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -28.53 64.24 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.91 1.284 . . . . 10.0 111.613 169.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -69.22 -22.97 63.83 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 128.588 2.755 . . . . 10.0 114.77 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.298 1.839 . . . . 10.0 113.32 -169.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 119.043 -0.503 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -151.05 122.28 7.78 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.249 1.419 . . . . 10.0 109.913 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -138.21 -9.96 1.49 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.357 1.243 . . . . 10.0 114.357 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -157.13 162.6 39.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 10.0 110.419 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.49 -12.46 57.56 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.611 1.338 . . . . 10.0 114.611 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -149.67 174.3 12.73 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.496 1.918 . . . . 10.0 110.61 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.87 154.03 10.01 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.312 1.045 . . . . 10.0 112.581 170.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.02 177.7 42.65 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.069 1.319 . . . . 10.0 113.084 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -59.6 141.23 88.65 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 124.313 1.045 . . . . 10.0 112.954 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -83.02 -0.54 10.06 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 124.047 3.165 . . . . 10.0 114.466 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.3 pt -58.95 152.09 51.73 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.468 1.507 . . . . 10.0 114.03 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.97 177.61 8.59 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 124.421 3.414 . . . . 10.0 112.92 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.61 157.29 44.74 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 125.685 1.594 . . . . 10.0 110.677 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.44 38.12 0.71 Allowed 'Trans proline' 0 CA--C 1.551 1.325 0 C-N-CA 124.879 3.719 . . . . 10.0 113.985 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.59 152.74 25.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.123 1.369 . . . . 10.0 113.08 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.41 173.63 13.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.029 1.732 . . . . 10.0 111.443 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.17 76.97 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 123.373 0.511 . . . . 10.0 113.829 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.08 16.9 11.63 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.284 1.834 . . . . 10.0 113.294 -173.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.65 23.19 6.8 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.668 1.987 . . . . 10.0 111.709 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -147.25 170.72 16.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.599 1.96 . . . . 10.0 111.507 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -64.2 145.34 56.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.388 1.075 . . . . 10.0 113.527 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.42 142.98 19.63 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.139 1.776 . . . . 10.0 109.922 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -137.96 -3.33 1.82 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.052 1.341 . . . . 10.0 114.397 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.1 mt -128.13 15.5 6.75 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.982 1.713 . . . . 10.0 113.045 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 p90 52.64 3.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 119.236 3.05 . . . . 10.0 119.236 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.94 10.98 3.94 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.099 1.359 . . . . 10.0 113.76 172.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.42 -20.99 61.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.374 1.07 . . . . 10.0 112.555 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.25 114.31 2.35 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.591 1.567 . . . . 10.0 111.873 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 pt -146.68 173.38 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 126.256 1.822 . . . . 10.0 111.97 -172.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -53.28 156.64 3.83 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.96 1.704 . . . . 10.0 113.555 170.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -67.54 145.36 70.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.484 2.122 . . . . 10.0 111.988 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -58.34 -29.49 65.98 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.685 1.365 . . . . 10.0 114.685 -170.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -59.22 -32.47 69.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.741 0.816 . . . . 10.0 113.126 172.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.381 59.8 ttp -95.73 -15.98 22.26 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 171.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 m -63.89 -36.88 85.38 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.319 -1.488 . . . . 10.0 107.227 166.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.75 -35.92 82.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.839 1.656 . . . . 10.0 111.888 168.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.24 -50.87 72.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.69 1.586 . . . . 10.0 109.801 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.54 -37.86 89.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.228 -0.589 . . . . 10.0 110.974 -171.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.46 -47.35 82.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 128.335 2.654 . . . . 10.0 114.323 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -36.14 31.94 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 124.14 0.976 . . . . 10.0 113.132 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -28.34 68.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.461 1.504 . . . . 10.0 110.132 169.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.82 -39.41 56.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.658 1.183 . . . . 10.0 111.055 168.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -39.47 90.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.671 0.789 . . . . 10.0 111.701 173.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -58.54 2.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 C-N-CA 125.615 1.566 . . . . 10.0 108.309 169.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -37.92 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.149 0.58 . . . . 10.0 111.921 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.53 -37.39 60.09 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.079 -1.013 . . . . 10.0 112.45 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.305 2.2 t60 -73.42 -19.75 60.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.508 1.123 . . . . 10.0 110.587 169.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -77.58 -42.83 33.75 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 120.274 -1.516 . . . . 10.0 109.856 168.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.74 -36.87 81.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 120.476 1.489 . . . . 10.0 111.098 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -66.02 -23.45 66.56 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.327 -0.858 . . . . 10.0 109.927 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.43 -44.58 24.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.328 0.967 . . . . 10.0 113.257 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.1 m -60.55 -41.78 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 CA-C-N 120.525 1.511 . . . . 10.0 110.38 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -66.62 -38.35 86.77 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 115.832 -2.033 . . . . 10.0 109.18 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.46 77.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 122.352 2.342 . . . . 10.0 111.617 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 mmt180 -63.18 -43.78 97.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.102 0.864 . . . . 10.0 110.804 169.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.9 -36.91 83.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.108 2.163 . . . . 10.0 112.795 -179.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -70.43 -39.97 74.08 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.994 2.117 . . . . 10.0 109.534 172.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.3 OUTLIER -65.2 -36.9 85.62 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.511 0.596 . . . . 10.0 111.243 172.315 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -65.7 -33.32 75.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 119.952 -1.718 . . . . 10.0 112.865 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.13 -23.33 65.8 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 119.339 0.972 . . . . 10.0 112.282 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.52 38.72 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.759 -1.213 . . . . 10.0 112.016 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.9 -39.09 90.29 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.465 -1.397 . . . . 10.0 110.135 169.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -60.51 -23.36 64.48 Favored 'General case' 0 C--O 1.22 -0.5 0 C-N-CA 125.025 1.33 . . . . 10.0 112.226 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 -45.64 16.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.803 1.408 . . . . 10.0 114.803 173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.343 3.6 p -65.44 -19.4 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 121.236 -0.915 . . . . 10.0 111.51 169.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.47 -49.58 70.86 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.47 -1.394 . . . . 10.0 111.289 167.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.83 -38.72 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.254 1.422 . . . . 10.0 113.958 -169.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -152.15 79.46 6.22 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.354 0.662 . . . . 10.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.1 Cg_endo -60.19 54.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.545 1.036 1 C-N-CA 127.118 5.212 . . . . 10.0 117.382 -177.281 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.9 m-20 -73.64 147.38 43.79 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 120.36 -1.463 . . . . 10.0 108.456 167.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -56.93 -27.09 60.58 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.03 -41.03 91.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 CA-C-O 116.321 -1.799 . . . . 10.0 114.801 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.86 -24.33 64.33 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.601 2.455 . . . . 10.0 109.606 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -78.23 -42.59 30.81 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.395 1.478 . . . . 10.0 111.196 170.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -65.45 -33.31 75.64 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.392 -1.442 . . . . 10.0 114.503 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.7 m -65.25 -29.33 70.1 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 129.687 3.195 . . . . 10.0 108.945 169.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -51.45 58.46 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 118.601 -1.24 . . . . 10.0 109.762 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.31 -26.65 63.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.602 1.161 . . . . 10.0 113.658 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.9 -46.05 46.93 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.899 2.48 . . . . 10.0 113.504 170.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.87 -37.95 82.46 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.931 -1.106 . . . . 10.0 111.462 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -63.35 -32.51 73.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.434 2.694 . . . . 10.0 111.978 169.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.15 69.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.146 0.978 . . . . 10.0 111.754 169.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.07 63.44 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 119.927 1.24 . . . . 10.0 109.81 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -51.38 -38.91 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 121.201 1.819 . . . . 10.0 110.285 173.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -38.22 80.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.964 1.257 . . . . 10.0 114.036 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -55.77 -55.58 30.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.442 1.497 . . . . 10.0 110.499 169.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.88 -43.32 99.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 129.526 3.13 . . . . 10.0 111.119 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.19 -43.8 70.01 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.893 1.677 . . . . 10.0 110.943 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.4 m -57.37 -48.64 78.51 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.649 0.78 . . . . 10.0 110.166 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -54.0 -60.42 3.35 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.197 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD13 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.24 -29.16 70.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 121.661 2.028 . . . . 10.0 114.614 -171.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.19 51.17 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 120.715 1.598 . . . . 10.0 111.169 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -33.17 74.06 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.621 1.211 . . . . 10.0 113.601 175.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tp -73.39 -52.58 13.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 129.979 3.312 . . . . 10.0 109.995 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HE3' HD13 ' A' ' 91' ' ' LEU . 72.4 mttt -61.51 -30.0 70.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.272 1.029 . . . . 10.0 110.545 174.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.79 59.1 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.578 1.551 . . . . 10.0 114.044 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -60.5 -44.63 95.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.491 1.496 . . . . 10.0 107.116 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.34 -50.89 71.5 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 117.304 -1.331 . . . . 10.0 112.19 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.98 54.13 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.396 1.907 . . . . 10.0 114.439 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.77 -45.84 16.36 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.686 1.13 . . . . 10.0 113.373 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.7 -53.64 52.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.305 2.642 . . . . 10.0 112.546 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.02 -40.68 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.856 2.062 . . . . 10.0 108.027 -169.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.444 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . . . -69.4 10.45 0.34 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 115.209 172.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.12 -31.61 2.34 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.473 2.309 . . . . 10.0 111.754 169.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -38.0 68.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.479 1.511 . . . . 10.0 110.552 168.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 103' ' ' ALA . 15.5 ptpt -76.27 -11.31 59.89 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.923 2.089 . . . . 10.0 115.628 -174.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.795 1.638 . . . . 10.0 112.667 -173.096 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 118.626 -0.702 . . . . 10.0 110.285 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 166.84 27.74 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.702 1.601 . . . . 10.0 111.461 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 m80 51.49 37.25 18.93 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.419 1.488 . . . . 10.0 114.157 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.98 156.2 12.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.647 1.579 . . . . 10.0 113.815 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.46 164.05 28.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.098 1.759 . . . . 10.0 110.735 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -135.71 6.57 3.21 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.235 1.198 . . . . 10.0 114.235 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 150.15 40.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.511 1.124 . . . . 10.0 113.019 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.18 173.57 44.54 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.332 0.968 . . . . 10.0 113.783 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.0 153.06 56.54 Favored Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 126.637 1.975 . . . . 10.0 111.093 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.92 157.28 62.3 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.882 2.388 . . . . 10.0 112.204 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -136.88 159.08 71.58 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 125.51 1.524 . . . . 10.0 112.245 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.2 160.25 3.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 125.288 3.992 . . . . 10.0 116.032 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -143.57 123.88 7.79 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.84 1.656 . . . . 10.0 109.427 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.22 45.14 1.48 Allowed 'Trans proline' 0 CA--C 1.55 1.324 0 C-N-CA 125.238 3.959 . . . . 10.0 113.865 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.8 -26.89 67.62 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.828 1.651 . . . . 10.0 113.408 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.65 165.92 24.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.744 2.018 . . . . 10.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.5 -167.62 31.97 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.716 1.151 . . . . 10.0 113.449 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -36.56 81.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.015 0.926 . . . . 10.0 112.094 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 51.1 20.18 0.81 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.875 2.07 . . . . 10.0 115.41 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -157.89 166.85 31.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.441 1.896 . . . . 10.0 110.79 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.5 p -68.34 141.84 55.66 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.281 1.032 . . . . 10.0 112.371 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.78 4.88 1.73 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.51 1.124 . . . . 10.0 112.996 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -150.83 152.73 34.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.487 1.515 . . . . 10.0 110.62 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.93 175.31 14.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.33 1.452 . . . . 10.0 112.947 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -62.68 168.64 3.61 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.672 1.589 . . . . 10.0 114.163 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -145.11 145.91 31.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.008 1.323 . . . . 10.0 111.261 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -145.61 157.56 43.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.113 1.765 . . . . 10.0 110.569 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.26 28.54 0.34 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.931 0.777 . . . . 10.0 114.845 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.44 169.84 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.923 1.689 . . . . 10.0 112.141 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -145.16 155.34 54.72 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.45 1.9 . . . . 10.0 110.354 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.41 -14.76 43.68 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.038 2.492 . . . . 10.0 114.547 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -59.0 -22.47 60.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.801 1.24 . . . . 10.0 113.996 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 p -57.28 -35.71 70.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.589 0.756 . . . . 10.0 112.225 170.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.387 27.3 ttt -88.92 -15.11 35.15 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 174.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 m -65.76 -39.97 91.59 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 119.975 -1.703 . . . . 10.0 107.41 166.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -62.62 -38.44 90.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.329 1.452 . . . . 10.0 112.401 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.46 -49.56 74.29 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.548 1.522 . . . . 10.0 110.598 170.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -67.56 -26.87 66.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.875 -169.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -76.91 -46.62 23.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.644 2.378 . . . . 10.0 112.354 169.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 -36.44 32.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.635 1.107 . . . . 10.0 113.426 -172.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -66.66 -27.66 67.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.161 1.384 . . . . 10.0 110.42 170.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.34 -38.41 55.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.762 1.225 . . . . 10.0 111.296 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.98 -44.26 97.62 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.675 1.19 . . . . 10.0 111.095 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.71 -56.68 2.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 125.908 1.683 . . . . 10.0 108.807 169.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -36.32 73.54 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.932 0.493 . . . . 10.0 112.127 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.78 61.39 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.83 -1.169 . . . . 10.0 112.573 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' HD11 ' A' ' 87' ' ' LEU 0.328 2.0 t60 -73.34 -19.28 61.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.412 1.885 . . . . 10.0 111.154 169.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -80.07 -41.45 25.59 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 120.344 -1.472 . . . . 10.0 109.259 168.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.5 -38.03 86.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.592 1.542 . . . . 10.0 111.312 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -66.27 -21.57 66.28 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.122 -0.986 . . . . 10.0 110.16 168.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.9 tp -80.1 -43.47 21.68 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 117.588 -1.196 . . . . 10.0 113.278 173.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.76 -41.25 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 CA-C-N 120.555 1.525 . . . . 10.0 110.131 170.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.6 m -70.73 -34.91 72.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 115.957 -1.973 . . . . 10.0 110.273 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.33 77.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.572 1.987 . . . . 10.0 110.995 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -63.85 -48.66 75.86 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.159 0.891 . . . . 10.0 110.273 169.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -29.95 70.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.663 1.985 . . . . 10.0 112.333 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -42.16 25.38 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.223 2.209 . . . . 10.0 110.589 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER -65.86 -32.65 74.29 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 118.655 -0.688 . . . . 10.0 110.791 169.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -69.73 -34.35 73.72 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 119.684 -1.885 . . . . 10.0 113.445 169.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.83 -24.5 65.28 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.726 1.148 . . . . 10.0 111.71 169.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.31 35.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.464 -1.397 . . . . 10.0 112.095 168.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.6 -37.76 85.56 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.107 -1.62 . . . . 10.0 109.704 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 15.7 tptt -57.26 -37.47 72.39 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 124.295 1.038 . . . . 10.0 110.341 169.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.96 77.31 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.199 0.815 . . . . 10.0 113.199 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.314 3.6 p -75.57 -22.62 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.561 -0.712 . . . . 10.0 112.562 170.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.26 -37.92 89.2 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 119.966 -1.709 . . . . 10.0 111.812 168.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.459 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.7 p -109.86 -25.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 117.364 2.357 . . . . 10.0 117.364 -166.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -151.53 72.53 8.24 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.406 0.682 . . . . 10.0 112.003 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 4.3 Cg_endo -58.99 53.67 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.1 1 C-N-CA 127.643 5.562 . . . . 10.0 119.193 -173.092 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.42 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 75.3 m-20 -74.3 148.66 41.2 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 119.812 -1.805 . . . . 10.0 109.114 167.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.44 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 82.0 m-20 -57.49 -24.47 56.05 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.781 0.8 . . . . 10.0 113.058 -174.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.79 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-O 116.158 -1.877 . . . . 10.0 114.113 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -67.79 -26.49 66.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 122.851 2.568 . . . . 10.0 110.034 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -78.11 -30.62 49.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.877 1.671 . . . . 10.0 112.392 171.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 m -79.99 -36.13 36.43 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 123.185 1.469 . . . . 10.0 113.929 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.6 m -60.82 -29.15 69.3 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 130.122 3.369 . . . . 10.0 108.03 168.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -54.28 40.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.117 -1.033 . . . . 10.0 111.322 168.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.66 -26.44 65.53 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.633 1.573 . . . . 10.0 112.6 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -72.56 -45.76 57.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.914 2.486 . . . . 10.0 113.312 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.4 -41.14 80.91 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.725 1.25 . . . . 10.0 112.064 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -63.88 -29.63 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 128.314 2.646 . . . . 10.0 111.826 169.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.97 67.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.089 0.956 . . . . 10.0 111.442 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.76 74.54 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 119.875 1.216 . . . . 10.0 109.397 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.9 t -51.46 -39.97 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 121.387 1.903 . . . . 10.0 110.783 172.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.5 t -67.11 -38.0 84.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.905 1.229 . . . . 10.0 113.774 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.1 m -56.27 -55.43 33.46 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.269 1.427 . . . . 10.0 110.786 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 47' ' ' HIS . 4.2 mm? -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 129.168 2.987 . . . . 10.0 110.86 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.12 -44.1 69.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.058 1.743 . . . . 10.0 111.061 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.66 -48.63 78.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.834 0.853 . . . . 10.0 110.154 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -53.76 -60.31 3.48 Favored 'General case' 0 CA--C 1.493 -1.242 0 CA-C-O 116.911 -1.518 . . . . 10.0 108.967 172.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD13 ' HE2' ' A' ' 95' ' ' LYS . 3.8 mm? -63.11 -27.7 69.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 121.763 2.074 . . . . 10.0 114.847 -171.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.6 -50.73 46.93 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 120.778 1.626 . . . . 10.0 110.979 168.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -33.22 74.31 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.194 0.997 . . . . 10.0 113.587 176.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tp -73.71 -53.26 10.77 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 130.699 3.6 . . . . 10.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HE2' HD13 ' A' ' 91' ' ' LEU . 41.1 mttm -61.14 -29.85 70.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.876 0.87 . . . . 10.0 110.527 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -37.38 62.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.087 1.355 . . . . 10.0 113.431 169.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -55.83 -43.66 77.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 120.481 1.491 . . . . 10.0 107.897 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.94 -52.0 67.64 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 117.535 -1.221 . . . . 10.0 112.921 172.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.49 53.65 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 121.162 1.801 . . . . 10.0 114.38 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.68 -44.93 17.99 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.689 1.196 . . . . 10.0 113.529 169.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.16 -53.09 60.41 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.358 2.663 . . . . 10.0 112.802 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.78 -40.13 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.637 1.975 . . . . 10.0 107.855 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . . . -70.99 14.99 0.12 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.56 2.344 . . . . 10.0 115.332 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.41 -26.82 1.41 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.885 2.474 . . . . 10.0 111.451 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -37.63 77.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.251 1.42 . . . . 10.0 109.988 168.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 103' ' ' ALA . 15.4 ptpt -75.88 -12.42 60.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.033 2.133 . . . . 10.0 115.474 -174.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.261 1.824 . . . . 10.0 112.28 -179.707 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.466 -0.198 . . . . 10.0 110.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -136.01 17.32 3.25 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.137 1.375 . . . . 10.0 112.771 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -137.86 165.59 26.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.2 1.4 . . . . 10.0 112.217 -171.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.12 160.81 14.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.86 1.264 . . . . 10.0 113.119 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -63.8 137.06 57.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.534 0.734 . . . . 10.0 111.375 172.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -82.46 1.43 37.57 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.312 1.227 . . . . 10.0 114.312 -175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -147.84 155.83 42.06 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.787 1.635 . . . . 10.0 111.492 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.4 169.62 41.35 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.084 1.326 . . . . 10.0 113.236 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -68.07 153.6 95.12 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 124.868 1.267 . . . . 10.0 112.417 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.56 156.84 10.6 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.814 3.009 . . . . 10.0 113.993 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.5 pt -137.02 159.94 68.05 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.066 1.347 . . . . 10.0 112.507 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.89 166.95 1.78 Allowed 'Trans proline' 0 CA--C 1.54 0.815 1 C-N-CA 125.35 4.034 . . . . 10.0 115.197 170.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -144.75 151.31 49.43 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 125.476 1.51 . . . . 10.0 110.836 170.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.97 127.27 12.0 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.032 2.488 . . . . 10.0 112.079 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -146.9 16.86 1.24 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.802 1.241 . . . . 10.0 112.829 -174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.0 -25.86 66.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.73 18.6 78.78 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 115.909 1.124 . . . . 10.0 115.909 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -145.64 176.1 9.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.365 1.466 . . . . 10.0 112.642 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -139.38 171.97 13.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.728 1.611 . . . . 10.0 112.68 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.2 m -54.41 136.61 43.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.501 1.521 . . . . 10.0 114.145 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.4 m -127.15 -28.77 2.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.672 1.189 . . . . 10.0 112.936 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.72 147.18 53.61 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.128 -0.982 . . . . 10.0 112.529 172.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -145.32 9.62 1.24 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tt -148.95 140.88 23.74 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.491 1.516 . . . . 10.0 110.464 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -152.07 156.37 39.77 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.522 1.529 . . . . 10.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.36 -5.65 0.32 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.723 1.379 . . . . 10.0 114.723 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.02 124.5 22.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.193 0.997 . . . . 10.0 111.577 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.31 -163.42 35.53 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.525 1.06 . . . . 10.0 113.303 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.1 pt -134.13 166.43 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.268 1.827 . . . . 10.0 111.074 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.32 155.58 70.13 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.179 1.392 . . . . 10.0 111.864 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.64 8.53 1.89 Allowed 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.245 3.297 . . . . 10.0 114.769 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -53.14 -29.9 33.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.395 1.478 . . . . 10.0 114.078 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -58.25 -30.31 66.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.41 1.084 . . . . 10.0 113.412 171.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.378 25.0 ttt -95.18 -13.6 24.85 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 170.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -65.06 -37.96 89.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.004 -1.685 . . . . 10.0 106.802 166.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -37.83 87.97 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.71 1.604 . . . . 10.0 112.314 168.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.49 -50.74 70.89 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.848 1.658 . . . . 10.0 110.158 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -65.98 -35.09 79.64 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.451 0.469 . . . . 10.0 111.132 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.47 -47.74 69.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.434 2.293 . . . . 10.0 112.742 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.29 -36.18 34.8 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.751 1.159 . . . . 10.0 112.638 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -65.85 -27.27 68.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.742 1.617 . . . . 10.0 111.031 170.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.13 -37.57 38.23 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.084 1.354 . . . . 10.0 111.629 168.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.39 -42.89 96.84 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.63 1.172 . . . . 10.0 111.034 174.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -60.17 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 125.884 1.674 . . . . 10.0 108.808 169.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -40.03 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.771 0.429 . . . . 10.0 111.675 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.13 72.53 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.3 -0.875 . . . . 10.0 112.275 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.393 3.0 t60 -72.37 -19.24 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.322 1.849 . . . . 10.0 112.034 170.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.42 -40.97 28.69 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.513 1.506 . . . . 10.0 109.806 168.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -68.17 -37.74 81.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.305 1.412 . . . . 10.0 111.517 174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -64.51 -26.72 68.55 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.257 -0.902 . . . . 10.0 109.572 168.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.31 -49.84 25.38 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 117.617 -1.182 . . . . 10.0 112.173 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -58.53 -38.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 121.166 1.803 . . . . 10.0 110.626 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -66.32 -40.46 89.94 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 116.134 -1.889 . . . . 10.0 109.432 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.67 75.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 122.313 2.324 . . . . 10.0 111.95 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -43.85 97.44 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.277 0.944 . . . . 10.0 110.281 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.03 -37.65 86.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.605 1.962 . . . . 10.0 113.04 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -69.16 -39.43 78.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.714 2.005 . . . . 10.0 109.605 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.369 0.3 OUTLIER -65.4 -35.14 80.05 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 118.778 -0.629 . . . . 10.0 111.487 171.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 1.5 ttpt -65.88 -33.2 75.28 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.012 -1.68 . . . . 10.0 112.933 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.3 -23.24 65.63 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.209 0.913 . . . . 10.0 111.955 169.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.2 -32.8 38.58 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.493 -1.379 . . . . 10.0 112.012 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.01 -37.89 85.0 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.391 -1.443 . . . . 10.0 110.32 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 16.9 tptt -56.9 -38.41 72.76 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.3 1.04 . . . . 10.0 110.436 169.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.15 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -78.16 -21.79 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 118.868 0.758 . . . . 10.0 112.494 169.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.53 -36.96 85.92 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.001 -1.687 . . . . 10.0 111.706 168.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.5 p -112.4 -24.07 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 117.401 2.371 . . . . 10.0 117.401 -166.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.62 70.8 8.91 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.509 0.724 . . . . 10.0 112.392 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.279 3.9 Cg_endo -59.14 48.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 127.634 5.556 . . . . 10.0 119.25 -172.984 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -72.98 150.04 42.81 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 119.762 -1.837 . . . . 10.0 108.692 167.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.89 -22.49 48.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.654 0.74 . . . . 10.0 112.992 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.97 -40.44 85.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 116.103 -1.903 . . . . 10.0 114.334 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -70.21 -25.12 63.26 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 122.836 2.562 . . . . 10.0 110.117 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.5 mttt -75.93 -40.75 53.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.782 1.633 . . . . 10.0 111.272 169.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -69.33 -33.02 72.5 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.999 1.381 . . . . 10.0 114.373 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 m -65.39 -28.57 69.35 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 129.986 3.314 . . . . 10.0 109.122 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -51.39 61.71 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 118.338 -1.345 . . . . 10.0 109.76 167.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -58.99 -27.27 65.25 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.828 1.251 . . . . 10.0 113.396 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.86 -45.86 56.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.841 2.456 . . . . 10.0 113.548 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.55 -38.3 80.67 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.903 -1.123 . . . . 10.0 111.67 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -62.95 -31.83 73.0 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.188 2.595 . . . . 10.0 111.722 169.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.25 -31.9 68.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.105 0.962 . . . . 10.0 111.884 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.29 63.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 120.116 1.325 . . . . 10.0 109.703 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.59 -38.84 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 121.29 1.859 . . . . 10.0 110.394 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.96 -38.4 82.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.975 1.261 . . . . 10.0 114.023 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 m -55.85 -54.99 37.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.347 1.459 . . . . 10.0 110.652 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -42.42 99.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 129.151 2.98 . . . . 10.0 110.787 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.51 -44.73 70.46 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.999 1.719 . . . . 10.0 111.044 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -57.74 -49.54 76.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.101 0.96 . . . . 10.0 110.22 172.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -51.62 -60.15 3.47 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 117.5 -1.238 . . . . 10.0 108.816 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.4 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 3.3 mm? -64.25 -31.26 72.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 116.547 -1.692 . . . . 10.0 115.257 -169.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.96 -46.35 82.06 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 121.285 1.857 . . . . 10.0 111.199 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -33.57 76.27 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.488 1.144 . . . . 10.0 113.871 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 tp -71.3 -52.58 18.05 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 131.216 3.806 . . . . 10.0 109.596 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 91' ' ' LEU . 52.4 mtmt -61.91 -29.42 70.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.058 0.943 . . . . 10.0 110.474 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -38.07 61.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 117.293 -1.337 . . . . 10.0 113.202 168.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -55.19 -44.3 75.15 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 120.664 1.575 . . . . 10.0 108.008 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.34 -52.37 65.91 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 117.358 -1.306 . . . . 10.0 112.785 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.55 -25.01 50.94 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.328 1.877 . . . . 10.0 114.388 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.68 -45.16 17.61 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.465 1.106 . . . . 10.0 113.719 169.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.23 56.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.968 2.507 . . . . 10.0 112.517 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.24 -44.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 126.791 2.036 . . . . 10.0 107.948 -169.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.29 4.77 0.46 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.012 2.125 . . . . 10.0 115.171 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.11 -19.53 4.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.152 2.181 . . . . 10.0 112.857 171.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -60.0 -26.33 65.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.553 1.141 . . . . 10.0 111.068 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -70.99 -17.16 62.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 129.145 2.978 . . . . 10.0 114.673 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.083 1.753 . . . . 10.0 112.165 -169.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.384 0.135 . . . . 10.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -132.59 35.48 3.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.856 1.262 . . . . 10.0 112.681 -169.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -55.0 -15.98 2.44 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -174.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -58.47 -19.86 40.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.306 1.225 . . . . 10.0 114.306 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -64.79 -14.94 60.87 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.842 -1.161 . . . . 10.0 114.082 171.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -71.73 -16.4 62.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.109 0.964 . . . . 10.0 113.307 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -75.56 -177.86 3.85 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.945 1.298 . . . . 10.0 112.309 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.88 174.67 34.53 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.363 0.983 . . . . 10.0 114.032 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -142.31 156.39 64.21 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 126.765 2.026 . . . . 10.0 111.562 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.29 160.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.901 2.4 . . . . 10.0 112.325 173.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 pp -60.39 151.78 67.5 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.644 1.177 . . . . 10.0 113.138 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.55 163.68 38.21 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.415 2.743 . . . . 10.0 112.374 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -59.55 131.84 88.38 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.42 0.688 . . . . 10.0 111.643 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.61 165.79 26.56 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.423 2.749 . . . . 10.0 113.224 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.7 158.34 44.11 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.749 2.019 . . . . 10.0 110.173 172.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.22 -8.8 1.0 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.709 1.744 . . . . 10.0 115.709 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.06 -169.19 29.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.234 0.921 . . . . 10.0 114.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -143.69 141.3 30.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.355 1.862 . . . . 10.0 109.391 173.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.65 158.64 29.49 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -153.51 160.47 42.53 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.298 1.439 . . . . 10.0 111.275 175.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p -141.47 47.27 1.68 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.181 1.793 . . . . 10.0 111.04 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.42 -25.6 2.66 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.145 2.178 . . . . 10.0 116.818 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -114.34 1.46 14.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.948 1.299 . . . . 10.0 113.603 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.39 -38.72 78.13 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.107 -0.995 . . . . 10.0 111.459 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 t80 61.31 -49.28 0.12 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 129.155 2.982 . . . . 10.0 117.23 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -69.34 158.45 35.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.804 1.242 . . . . 10.0 114.015 -173.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.39 162.65 17.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.927 1.291 . . . . 10.0 113.453 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.67 1.67 0.03 OUTLIER Glycine 0 CA--C 1.54 1.631 0 N-CA-C 116.645 1.418 . . . . 10.0 116.645 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 tp -153.03 161.6 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.116 1.766 . . . . 10.0 109.911 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -139.65 152.16 67.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.332 1.453 . . . . 10.0 111.001 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -10.38 26.25 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.261 2.641 . . . . 10.0 114.219 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.26 -13.89 22.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.845 -1.159 . . . . 10.0 112.873 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.436 59.4 ttp -100.29 -17.22 17.4 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 114.717 1.376 . . . . 10.0 114.717 -177.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.93 -40.39 96.34 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 106.877 -1.527 . . . . 10.0 106.877 165.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -59.09 -38.38 79.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.206 1.803 . . . . 10.0 112.154 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -51.1 70.86 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 121.08 1.763 . . . . 10.0 110.113 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -65.12 -34.34 78.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 120.632 -0.427 . . . . 10.0 111.13 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.22 -49.35 61.3 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.601 2.36 . . . . 10.0 112.939 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.24 -36.29 34.87 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 119.591 1.087 . . . . 10.0 112.899 -171.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -26.57 67.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.267 1.427 . . . . 10.0 111.0 170.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.1 -38.29 31.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.842 1.257 . . . . 10.0 111.291 169.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.72 -43.33 90.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.89 1.276 . . . . 10.0 111.185 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -48.7 -56.93 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 C-N-CA 125.946 1.698 . . . . 10.0 108.907 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -41.35 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.867 0.867 . . . . 10.0 112.188 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.73 69.8 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.224 -0.923 . . . . 10.0 112.189 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.373 3.1 t60 -72.55 -19.48 61.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.02 1.728 . . . . 10.0 111.965 169.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.14 -41.36 28.72 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.39 -1.444 . . . . 10.0 109.521 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -39.5 90.98 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.954 1.252 . . . . 10.0 111.143 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.22 -23.97 67.5 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.911 -1.118 . . . . 10.0 110.2 168.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -78.0 -41.78 34.74 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.657 -1.163 . . . . 10.0 112.919 173.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.77 -41.83 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 120.522 1.51 . . . . 10.0 110.327 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.9 m -66.37 -39.29 89.03 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 116.665 -1.636 . . . . 10.0 109.535 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.32 79.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 121.063 1.756 . . . . 10.0 111.105 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -62.03 -48.18 81.4 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.851 0.75 . . . . 10.0 110.253 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -29.48 70.5 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.2 2.2 . . . . 10.0 113.166 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -78.27 -41.41 34.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 126.993 2.117 . . . . 10.0 110.194 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.449 0.0 OUTLIER -67.95 -32.84 73.56 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.323 -0.846 . . . . 10.0 111.561 169.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -33.57 75.4 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 119.639 -1.913 . . . . 10.0 113.55 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.03 -24.4 62.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.405 1.082 . . . . 10.0 112.133 170.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.48 -30.87 37.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.457 -1.402 . . . . 10.0 111.84 168.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.09 -37.59 84.21 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.229 -1.544 . . . . 10.0 109.524 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HE3' ' HB ' ' A' ' 67' ' ' VAL . 17.2 tptt -56.76 -36.83 70.25 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 123.724 0.81 . . . . 10.0 110.425 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.95 -39.46 76.04 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 3.2 p -76.24 -21.8 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.741 0.701 . . . . 10.0 112.537 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.54 -37.94 89.29 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 119.928 -1.732 . . . . 10.0 111.73 168.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' HB ' ' HE3' ' A' ' 63' ' ' LYS . 3.8 p -110.25 -24.74 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 117.492 2.405 . . . . 10.0 117.492 -166.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -151.33 72.39 8.39 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.429 0.692 . . . . 10.0 112.007 169.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.2 Cg_endo -59.78 53.74 0.07 OUTLIER 'Trans proline' 0 CA--C 1.544 1.005 1 C-N-CA 127.495 5.463 . . . . 10.0 118.806 -173.354 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.24 151.84 38.37 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 119.919 -1.738 . . . . 10.0 108.65 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -51.95 -33.0 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.6 -42.65 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 CA-C-O 116.336 -1.792 . . . . 10.0 113.575 171.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.34 -23.53 66.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.856 2.571 . . . . 10.0 110.349 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -80.72 -29.91 36.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.504 1.521 . . . . 10.0 112.568 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -80.09 -38.4 31.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.799 1.64 . . . . 10.0 113.826 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -58.84 -29.3 66.82 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 130.4 3.48 . . . . 10.0 108.026 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -54.75 32.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.805 -1.158 . . . . 10.0 111.198 167.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -58.56 -25.54 62.63 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.723 1.609 . . . . 10.0 112.965 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.93 -45.49 50.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.016 2.526 . . . . 10.0 113.603 169.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.1 -40.75 82.55 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.964 1.364 . . . . 10.0 111.847 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -64.06 -29.01 70.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.219 2.608 . . . . 10.0 111.717 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.41 66.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.13 0.972 . . . . 10.0 111.324 169.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.13 72.4 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 119.921 1.237 . . . . 10.0 109.279 168.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.1 t -51.84 -39.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 121.32 1.873 . . . . 10.0 110.778 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 t -67.39 -38.03 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.024 1.284 . . . . 10.0 113.817 174.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.2 m -55.73 -54.91 38.5 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.349 1.46 . . . . 10.0 110.449 169.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.25 -43.12 98.92 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 129.094 2.958 . . . . 10.0 110.939 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.82 -44.55 69.76 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.089 1.756 . . . . 10.0 111.042 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.4 m -58.09 -48.43 80.2 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.701 0.8 . . . . 10.0 110.245 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -53.65 -60.17 3.66 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 116.767 -1.587 . . . . 10.0 109.131 172.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.8 mm? -62.62 -29.08 70.35 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 121.426 1.921 . . . . 10.0 115.049 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.53 -49.91 57.75 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-N 120.884 1.675 . . . . 10.0 110.922 169.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.39 73.9 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.53 1.165 . . . . 10.0 113.836 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.01 -52.17 15.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 130.114 3.366 . . . . 10.0 109.5 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HE3' HD12 ' A' ' 91' ' ' LEU . 65.8 mttt -61.79 -30.16 70.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.407 1.083 . . . . 10.0 110.641 174.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.25 55.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.898 1.679 . . . . 10.0 114.26 169.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.45 -44.67 96.71 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 106.707 -1.59 . . . . 10.0 106.707 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.96 -51.35 68.01 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.385 -1.293 . . . . 10.0 112.281 171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.71 56.25 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 121.385 1.902 . . . . 10.0 114.832 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.75 -46.21 15.82 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.605 1.093 . . . . 10.0 113.625 168.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.4 -53.61 48.79 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 128.309 2.644 . . . . 10.0 112.538 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.24 -44.74 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 126.854 2.062 . . . . 10.0 107.81 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.65 4.84 0.35 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.193 2.197 . . . . 10.0 115.279 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.6 -12.62 4.89 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.475 2.31 . . . . 10.0 113.213 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.51 -26.06 66.98 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.523 1.129 . . . . 10.0 110.535 169.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -70.67 -25.47 63.0 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.162 2.985 . . . . 10.0 114.13 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.648 1.979 . . . . 10.0 112.577 -174.312 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 118.056 -0.974 . . . . 10.0 112.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 102' ' ' VAL . 2.0 mm? -56.18 -49.95 72.58 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.556 1.525 . . . . 10.0 110.224 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.22 -34.73 78.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 120.652 -0.419 . . . . 10.0 110.94 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.29 -49.1 65.6 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.059 2.143 . . . . 10.0 112.806 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.5 -34.8 35.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.266 0.939 . . . . 10.0 113.024 -170.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -67.4 -29.24 68.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.27 1.428 . . . . 10.0 110.734 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.48 -37.44 60.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.165 0.986 . . . . 10.0 110.84 168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.43 -43.95 97.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.579 1.152 . . . . 10.0 111.575 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.1 -57.92 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 C-N-CA 125.86 1.664 . . . . 10.0 108.192 169.528 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.101 0.96 . . . . 10.0 111.885 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 62.99 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.248 -0.908 . . . . 10.0 112.024 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.506 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.327 1.9 t-80 -69.42 -19.73 63.79 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.181 1.393 . . . . 10.0 111.485 169.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.93 -43.24 25.11 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.04 -1.662 . . . . 10.0 110.162 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -66.15 -36.32 82.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.584 1.538 . . . . 10.0 111.166 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -66.63 -23.83 66.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.09 -1.006 . . . . 10.0 110.263 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.7 tp -79.15 -42.57 25.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.325 173.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.6 m -60.66 -41.38 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 120.606 1.548 . . . . 10.0 109.824 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 m -67.39 -40.08 85.64 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 115.936 -1.983 . . . . 10.0 109.067 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.87 75.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.24 2.291 . . . . 10.0 111.466 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mmm180 -61.89 -46.42 89.45 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.804 0.729 . . . . 10.0 110.429 169.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.568 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.99 -32.72 74.37 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.075 2.15 . . . . 10.0 113.237 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.568 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.74 -39.7 64.07 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 125.794 1.638 . . . . 10.0 109.418 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 77' ' ' LEU 0.462 0.0 OUTLIER -67.86 -35.31 78.32 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.552 -0.737 . . . . 10.0 111.426 171.936 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -32.49 74.06 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.591 -1.943 . . . . 10.0 113.408 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.03 -25.21 61.72 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.772 1.229 . . . . 10.0 112.434 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.05 -30.73 39.46 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.686 -1.259 . . . . 10.0 111.508 169.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.83 -39.65 87.71 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.199 -1.563 . . . . 10.0 109.25 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.1 tptt -59.9 -22.05 61.88 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 124.439 1.096 . . . . 10.0 111.968 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.84 -45.91 16.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 173.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.0 p -65.25 -19.58 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 120.925 -1.11 . . . . 10.0 111.395 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.02 -48.01 78.02 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.306 -1.496 . . . . 10.0 111.356 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.0 m -88.66 -36.96 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.447 1.499 . . . . 10.0 113.907 -169.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.78 76.47 7.37 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.636 0.774 . . . . 10.0 111.888 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 7.6 Cg_endo -62.09 54.66 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.99 1 C-N-CA 126.851 5.034 . . . . 10.0 117.723 -175.671 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.32 150.35 38.49 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 120.209 -1.557 . . . . 10.0 108.436 167.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.4 t70 -56.49 -24.94 49.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.791 0.805 . . . . 10.0 113.024 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.62 -41.67 88.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 116.189 -1.862 . . . . 10.0 114.803 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -69.44 -24.9 63.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.805 2.548 . . . . 10.0 109.672 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.8 mttt -77.86 -37.59 47.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.186 1.394 . . . . 10.0 111.395 170.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.2 m -70.98 -35.5 72.13 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.024 1.393 . . . . 10.0 114.103 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.0 m -62.7 -28.7 70.13 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 130.02 3.328 . . . . 10.0 108.626 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.644 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -65.25 -53.3 46.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.102 -1.039 . . . . 10.0 110.614 167.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.81 -26.09 63.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.999 1.32 . . . . 10.0 113.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -72.58 -45.72 57.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.867 2.467 . . . . 10.0 113.414 169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.2 -41.43 81.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.904 1.335 . . . . 10.0 111.733 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.6 -28.02 69.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 128.466 2.706 . . . . 10.0 111.728 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.22 65.48 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.3 1.04 . . . . 10.0 111.494 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.78 75.82 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 119.912 1.233 . . . . 10.0 109.228 168.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.489 HG21 HD12 ' A' ' 58' ' ' LEU . 42.3 t -51.47 -39.8 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 120.901 1.682 . . . . 10.0 110.712 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.8 t -67.97 -38.17 82.41 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.988 1.267 . . . . 10.0 113.847 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.1 m -55.2 -55.2 33.97 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.355 1.462 . . . . 10.0 110.545 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.56 -43.85 97.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 129.262 3.025 . . . . 10.0 111.212 -175.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.38 -43.22 73.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.01 1.724 . . . . 10.0 110.809 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.1 m -57.76 -49.45 76.56 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.756 0.822 . . . . 10.0 110.244 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.01 -60.21 3.57 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-O 116.871 -1.537 . . . . 10.0 109.174 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.82 -27.64 69.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 120.781 1.628 . . . . 10.0 114.421 -171.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.37 -50.2 51.81 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.788 1.631 . . . . 10.0 110.715 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -31.74 72.96 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -76.05 -52.64 9.76 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.225 3.41 . . . . 10.0 109.859 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HE2' HD12 ' A' ' 91' ' ' LEU . 45.9 mttm -61.89 -29.14 70.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.095 0.958 . . . . 10.0 110.839 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -36.77 61.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 117.162 -1.399 . . . . 10.0 113.07 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -56.33 -45.03 80.54 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.592 1.542 . . . . 10.0 107.76 168.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -58.93 -51.66 69.09 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 117.273 -1.346 . . . . 10.0 112.543 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.58 52.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.473 1.942 . . . . 10.0 114.31 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.75 -45.93 16.25 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.454 1.101 . . . . 10.0 113.649 168.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.0 -53.48 52.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.231 2.612 . . . . 10.0 112.629 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.408 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t . . . . . 0 N--CA 1.442 -0.849 0 C-N-CA 126.919 2.088 . . . . 10.0 107.786 -169.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 118.231 -0.89 . . . . 10.0 111.811 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 101' ' ' LEU . 2.6 mm? -58.21 -51.2 70.76 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.608 1.549 . . . . 10.0 109.547 169.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.24 -29.07 68.61 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 120.077 -0.649 . . . . 10.0 111.384 -169.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -71.72 -47.12 56.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.606 2.762 . . . . 10.0 113.902 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -36.35 31.07 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.609 1.163 . . . . 10.0 113.399 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -26.15 67.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.803 1.641 . . . . 10.0 110.486 170.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -79.74 -36.4 37.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.759 1.224 . . . . 10.0 111.269 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -62.05 -41.83 98.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.8 0.84 . . . . 10.0 111.557 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.17 -56.2 4.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 125.911 1.684 . . . . 10.0 107.734 169.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -66.79 -40.39 88.11 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.282 1.033 . . . . 10.0 112.44 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.73 60.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.714 1.143 . . . . 10.0 112.352 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.297 2.4 t-80 -70.06 -20.6 63.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.601 1.16 . . . . 10.0 111.041 169.827 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.71 -43.2 38.45 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 120.285 -1.509 . . . . 10.0 109.761 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.46 -39.24 91.77 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.339 1.427 . . . . 10.0 111.123 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.56 -24.62 67.66 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.96 -1.088 . . . . 10.0 110.258 168.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' A' ' 87' ' ' LEU . 24.0 tp -77.76 -41.4 37.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.589 -1.196 . . . . 10.0 113.335 173.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.7 m -61.46 -40.91 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.844 1.657 . . . . 10.0 110.042 169.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -66.28 -42.14 88.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 116.419 -1.753 . . . . 10.0 108.693 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.98 -34.56 74.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 121.86 2.118 . . . . 10.0 111.546 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -62.12 -46.07 90.65 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 118.623 0.647 . . . . 10.0 110.434 169.799 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.589 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.28 -34.74 79.07 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.736 2.014 . . . . 10.0 112.924 177.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -71.83 -39.32 69.87 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.35 1.46 . . . . 10.0 109.371 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 HD11 ' A' ' 77' ' ' LEU 0.453 0.0 OUTLIER -68.89 -35.47 76.9 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 118.447 -0.787 . . . . 10.0 111.631 172.022 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.4 74.01 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.604 -1.935 . . . . 10.0 113.207 169.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.81 -25.31 61.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.853 1.261 . . . . 10.0 112.39 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.23 -30.69 38.58 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.768 -1.207 . . . . 10.0 111.718 169.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.64 -39.55 88.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.18 -1.575 . . . . 10.0 109.215 168.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.3 tptt -60.13 -21.55 61.73 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.635 1.174 . . . . 10.0 111.974 169.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.88 -46.24 15.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.2 1.556 . . . . 10.0 115.2 172.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.336 2.9 p -65.27 -19.57 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.033 -1.042 . . . . 10.0 111.449 169.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.92 -47.9 78.71 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.408 -1.432 . . . . 10.0 111.34 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.42 -37.39 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.298 1.439 . . . . 10.0 113.844 -169.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.22 78.02 6.61 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.526 0.73 . . . . 10.0 111.374 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.6 Cg_endo -61.39 53.84 0.1 Allowed 'Trans proline' 0 CA--C 1.546 1.094 1 C-N-CA 126.942 5.095 . . . . 10.0 117.581 -176.276 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.428 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.3 m-20 -74.48 148.72 40.77 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.343 -1.473 . . . . 10.0 108.487 167.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 80.0 m-20 -57.56 -23.4 50.35 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.05 -41.32 87.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 CA-C-O 116.104 -1.903 . . . . 10.0 114.443 169.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.39 -26.0 64.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.857 2.571 . . . . 10.0 109.729 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -76.5 -36.15 57.96 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.469 1.508 . . . . 10.0 111.809 169.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 m -73.74 -35.27 65.03 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 122.993 1.378 . . . . 10.0 114.036 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.3 m -62.44 -28.91 70.13 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 130.3 3.44 . . . . 10.0 108.314 168.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.82 -53.59 44.47 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.166 -1.014 . . . . 10.0 110.812 167.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -59.18 -24.97 63.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.109 1.364 . . . . 10.0 113.076 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -73.92 -45.49 50.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.021 2.528 . . . . 10.0 113.492 169.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.19 -41.52 81.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.745 1.259 . . . . 10.0 111.667 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -63.91 -26.66 68.7 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.548 2.739 . . . . 10.0 111.69 169.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.22 65.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.111 0.964 . . . . 10.0 111.243 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.7 83.64 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 120.554 1.524 . . . . 10.0 109.586 168.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 58' ' ' LEU . 38.1 t -51.32 -39.16 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 120.832 1.651 . . . . 10.0 110.397 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -69.03 -36.94 78.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.292 1.405 . . . . 10.0 113.747 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -55.89 -54.6 42.71 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.042 1.337 . . . . 10.0 110.248 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.746 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.23 -42.37 99.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.081 2.952 . . . . 10.0 111.161 -175.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.23 -41.85 66.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.192 1.797 . . . . 10.0 111.01 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -47.95 81.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.674 0.789 . . . . 10.0 110.112 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.19 -60.36 3.5 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 116.45 -1.738 . . . . 10.0 109.149 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.84 -28.38 69.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 121.973 2.169 . . . . 10.0 114.361 -172.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.92 -51.36 51.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 120.595 1.543 . . . . 10.0 110.77 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.68 80.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.897 1.348 . . . . 10.0 113.628 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.2 tp -69.13 -51.9 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 129.889 3.276 . . . . 10.0 109.794 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE3' HD12 ' A' ' 91' ' ' LEU . 74.0 mttt -63.86 -30.19 71.3 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.128 0.971 . . . . 10.0 110.689 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -36.58 63.96 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 117.394 -1.289 . . . . 10.0 112.865 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -56.32 -45.1 80.46 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 120.276 1.398 . . . . 10.0 107.76 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.76 -51.22 70.45 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 117.412 -1.28 . . . . 10.0 112.47 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.37 58.58 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 121.463 1.938 . . . . 10.0 114.758 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.43 -43.89 20.21 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.429 1.013 . . . . 10.0 113.544 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.32 -53.17 59.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.144 2.578 . . . . 10.0 112.714 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.442 -0.848 0 C-N-CA 126.989 2.116 . . . . 10.0 107.849 -169.593 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.34 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -56.24 -49.83 73.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.833 1.651 . . . . 10.0 110.266 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -65.84 -32.88 74.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 120.375 -0.53 . . . . 10.0 111.53 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.48 -46.86 58.74 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.266 2.226 . . . . 10.0 112.938 169.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -35.54 34.88 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 119.689 1.132 . . . . 10.0 113.178 -171.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.97 -28.63 68.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.98 1.312 . . . . 10.0 110.482 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.89 -39.03 61.71 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.783 1.233 . . . . 10.0 111.153 168.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.22 -42.94 99.48 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.571 1.149 . . . . 10.0 111.407 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.84 -57.41 2.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 125.774 1.629 . . . . 10.0 108.494 169.517 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -36.03 78.34 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.42 0.688 . . . . 10.0 112.429 -173.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -39.79 48.08 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 120.738 -1.226 . . . . 10.0 112.456 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.548 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.292 3.0 t-80 -70.26 -21.8 62.94 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.993 1.317 . . . . 10.0 110.622 169.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 -44.13 41.78 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.203 -1.561 . . . . 10.0 109.863 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.71 -38.92 90.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.507 1.503 . . . . 10.0 111.301 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.18 -26.07 68.36 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.346 -0.846 . . . . 10.0 110.283 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.6 tp -74.2 -48.13 31.0 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.156 -0.926 . . . . 10.0 112.853 172.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -59.34 -38.54 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 120.983 1.72 . . . . 10.0 110.297 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -67.45 -39.73 85.38 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 115.984 -1.96 . . . . 10.0 110.182 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.49 81.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.514 1.961 . . . . 10.0 111.317 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -49.04 76.66 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.71 0.686 . . . . 10.0 109.778 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.67 -33.97 70.72 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.144 1.778 . . . . 10.0 112.543 176.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -75.24 -42.04 56.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 128.275 2.63 . . . . 10.0 110.968 177.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 77' ' ' LEU 0.441 0.0 OUTLIER -66.52 -33.53 75.89 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.501 -0.761 . . . . 10.0 111.097 170.182 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -67.87 -34.38 76.57 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 119.722 -1.861 . . . . 10.0 113.493 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.87 -24.34 65.23 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.679 1.127 . . . . 10.0 111.947 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.61 -30.2 36.79 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.505 -1.372 . . . . 10.0 111.748 168.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.57 -37.97 86.07 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.136 -1.603 . . . . 10.0 109.509 169.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.502 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.2 tptt -57.22 -36.61 71.1 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.3 1.04 . . . . 10.0 110.395 169.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -39.51 75.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.317 3.4 p -76.13 -21.57 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 O-C-N 121.435 -0.791 . . . . 10.0 112.497 169.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.78 -37.41 87.53 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.932 -1.73 . . . . 10.0 111.83 168.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -111.2 -24.51 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 117.386 2.365 . . . . 10.0 117.386 -166.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -150.75 71.63 8.84 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.435 0.694 . . . . 10.0 112.194 169.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.277 4.6 Cg_endo -59.83 53.09 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 1 C-N-CA 127.376 5.384 . . . . 10.0 118.972 -173.189 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.99 150.58 38.94 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 119.834 -1.791 . . . . 10.0 108.93 167.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 31.2 t70 -56.41 -25.77 51.2 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.096 0.95 . . . . 10.0 113.082 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -40.92 88.18 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 CA-C-O 116.148 -1.882 . . . . 10.0 114.521 169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -68.83 -24.46 64.38 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 122.813 2.551 . . . . 10.0 109.919 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.9 mttt -79.71 -29.9 40.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.661 1.584 . . . . 10.0 112.334 171.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -80.08 -35.8 36.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 123.17 1.462 . . . . 10.0 113.972 172.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.0 m -61.36 -28.84 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.06 3.344 . . . . 10.0 108.108 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.32 -53.76 47.63 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.082 -1.047 . . . . 10.0 111.156 168.082 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -59.81 -25.84 65.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.708 1.603 . . . . 10.0 112.61 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -72.81 -46.0 55.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.999 2.519 . . . . 10.0 113.171 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.34 -40.99 81.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.894 1.331 . . . . 10.0 111.988 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.92 -29.27 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 128.343 2.657 . . . . 10.0 111.705 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.34 -32.23 66.33 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.305 1.042 . . . . 10.0 111.402 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.09 -48.15 71.91 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.975 1.261 . . . . 10.0 109.284 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 58' ' ' LEU . 41.1 t -51.61 -40.16 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 121.138 1.79 . . . . 10.0 110.482 172.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -67.79 -37.69 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.182 1.355 . . . . 10.0 113.973 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.5 m -55.71 -55.51 31.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.354 1.462 . . . . 10.0 110.548 169.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.13 99.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 129.323 3.049 . . . . 10.0 111.202 -175.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.56 -42.71 70.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.178 1.791 . . . . 10.0 110.814 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -57.9 -48.98 78.29 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.749 0.82 . . . . 10.0 110.12 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.31 -60.34 3.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.018 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.544 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.33 -29.03 70.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.602 2.001 . . . . 10.0 114.573 -171.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.01 -51.06 54.58 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 120.776 1.625 . . . . 10.0 111.086 169.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -33.07 74.46 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.458 1.129 . . . . 10.0 113.69 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.29 -51.95 15.72 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 129.874 3.27 . . . . 10.0 109.912 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -62.29 -30.94 71.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.071 . . . . 10.0 110.732 174.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -35.85 63.38 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 117.485 -1.245 . . . . 10.0 113.147 169.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.32 -44.61 84.33 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.586 1.539 . . . . 10.0 107.788 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.74 -51.84 67.9 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.637 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.29 -24.76 57.03 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.455 1.934 . . . . 10.0 114.446 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -80.53 -44.8 18.49 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.589 1.086 . . . . 10.0 113.732 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.84 -53.25 57.8 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.247 2.619 . . . . 10.0 112.84 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.442 -0.859 0 C-N-CA 126.752 2.021 . . . . 10.0 107.905 -169.525 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 118.102 -0.952 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD11 HG22 ' A' ' 102' ' ' VAL . 2.0 mm? -56.31 -52.94 62.68 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.217 1.371 . . . . 10.0 109.162 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.97 -36.17 79.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.688 -0.805 . . . . 10.0 111.389 -170.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -62.65 -43.71 98.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.046 2.138 . . . . 10.0 113.648 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.81 -36.31 31.86 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 121.141 -0.974 . . . . 10.0 112.757 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -24.55 65.17 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.136 2.175 . . . . 10.0 110.112 170.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.19 -39.48 29.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.512 1.525 . . . . 10.0 110.76 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.05 -41.95 93.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.355 1.062 . . . . 10.0 111.439 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -51.18 -57.99 2.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 125.517 1.527 . . . . 10.0 108.24 169.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -36.63 79.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.956 0.502 . . . . 10.0 112.22 -172.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.97 52.96 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.587 1.085 . . . . 10.0 112.336 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.316 2.4 t-80 -69.84 -20.33 63.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.45 1.1 . . . . 10.0 110.948 169.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.79 -44.13 33.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.191 -1.568 . . . . 10.0 109.484 168.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.26 -37.15 84.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.952 1.705 . . . . 10.0 111.503 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -65.45 -25.62 67.59 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.158 -0.964 . . . . 10.0 110.128 168.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.1 tp -76.6 -43.44 38.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.11 0.868 . . . . 10.0 113.154 173.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.86 -38.83 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 CA-C-N 120.514 1.506 . . . . 10.0 110.501 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.0 m -68.29 -34.09 75.52 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 116.097 -1.906 . . . . 10.0 110.289 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.47 81.22 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.508 1.958 . . . . 10.0 110.987 169.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.67 -44.77 92.77 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.108 0.867 . . . . 10.0 110.664 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.18 -31.75 72.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.19 2.196 . . . . 10.0 112.549 178.046 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.59 -40.91 63.52 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.784 2.033 . . . . 10.0 110.025 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.3 OUTLIER -65.99 -35.66 81.19 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 118.676 -0.678 . . . . 10.0 111.571 170.338 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.73 72.96 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.755 -1.841 . . . . 10.0 112.542 171.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.78 -23.37 62.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.182 0.993 . . . . 10.0 112.29 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.11 -33.11 38.99 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.551 -1.343 . . . . 10.0 112.029 168.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.5 -38.27 86.87 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.303 -1.498 . . . . 10.0 109.812 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 67' ' ' VAL . 9.9 tptt -60.52 -20.88 61.62 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 124.745 1.218 . . . . 10.0 112.258 169.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.7 -46.15 13.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 172.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.34 3.4 p -65.23 -19.61 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.955 -1.091 . . . . 10.0 111.383 169.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.68 -48.0 78.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.668 1.587 . . . . 10.0 111.545 167.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.9 -37.67 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.531 1.532 . . . . 10.0 113.91 -169.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -152.34 78.34 6.43 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.471 0.708 . . . . 10.0 111.199 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 6.0 Cg_endo -61.13 55.17 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.032 1 C-N-CA 127.006 5.138 . . . . 10.0 117.433 -176.186 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -75.47 149.21 38.54 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 120.356 -1.465 . . . . 10.0 108.68 167.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.5 t70 -56.6 -25.25 52.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.24 -41.44 89.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 CA-C-O 116.193 -1.861 . . . . 10.0 114.695 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.2 -24.47 63.12 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 122.694 2.497 . . . . 10.0 109.558 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.7 mttt -77.98 -40.6 38.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.248 1.419 . . . . 10.0 111.047 170.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -33.2 74.72 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 122.91 1.338 . . . . 10.0 114.198 172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -65.97 -29.3 69.67 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 129.992 3.317 . . . . 10.0 108.866 169.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.02 -51.53 57.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 118.701 -1.2 . . . . 10.0 109.583 167.285 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.81 -25.26 60.35 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.607 1.163 . . . . 10.0 113.815 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -76.33 -45.18 33.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.089 2.556 . . . . 10.0 113.73 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.44 -39.4 85.4 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.824 -1.173 . . . . 10.0 111.135 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.1 ttt-85 -62.76 -28.68 70.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.478 2.711 . . . . 10.0 111.935 169.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.55 68.33 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.247 -0.883 . . . . 10.0 111.505 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.92 76.18 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 120.518 1.508 . . . . 10.0 110.024 168.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.0 -38.83 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.631 1.56 . . . . 10.0 109.825 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 t -68.76 -38.28 79.98 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 120.534 1.515 . . . . 10.0 113.977 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.5 m -54.77 -55.25 32.08 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.138 1.375 . . . . 10.0 110.352 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.701 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.81 -43.98 97.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.226 3.011 . . . . 10.0 111.066 -175.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -70.71 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.318 1.847 . . . . 10.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 m -58.37 -49.84 75.81 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.789 0.722 . . . . 10.0 110.117 171.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -52.57 -60.02 3.75 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-O 116.486 -1.721 . . . . 10.0 109.088 173.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.7 -29.77 70.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 116.705 -1.617 . . . . 10.0 114.452 -171.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.98 73.2 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.713 1.597 . . . . 10.0 110.595 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -27.41 66.15 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.7 tp -76.66 -49.16 16.85 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 127.941 2.496 . . . . 10.0 108.763 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -64.33 -31.32 72.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.297 1.039 . . . . 10.0 110.62 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -38.42 65.06 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.533 -1.222 . . . . 10.0 112.928 169.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.54 -48.29 69.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 106.93 -1.507 . . . . 10.0 106.93 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.04 -50.77 71.73 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 117.938 -1.03 . . . . 10.0 111.743 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.13 58.55 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.751 1.614 . . . . 10.0 114.882 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.13 -41.29 25.74 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.957 1.095 . . . . 10.0 113.957 170.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.36 -53.45 56.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.824 2.45 . . . . 10.0 112.097 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 37' ' ' LEU . 47.3 t . . . . . 0 N--CA 1.442 -0.854 0 C-N-CA 127.137 2.175 . . . . 10.0 107.733 -169.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 117.973 -1.013 . . . . 10.0 112.385 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 101' ' ' LEU . 3.1 mm? -56.64 -49.85 73.79 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.571 1.532 . . . . 10.0 110.334 170.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.15 -31.82 72.89 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.515 -169.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.59 -47.35 55.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.221 2.208 . . . . 10.0 112.963 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -36.52 33.45 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.562 1.074 . . . . 10.0 113.157 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -66.56 -25.78 66.81 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.494 1.518 . . . . 10.0 110.814 170.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -79.83 -37.64 34.63 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.387 1.075 . . . . 10.0 110.924 168.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.85 -42.65 94.09 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.685 1.194 . . . . 10.0 111.533 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.66 -56.96 3.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 C-N-CA 125.835 1.654 . . . . 10.0 108.247 169.427 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -35.34 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.009 0.924 . . . . 10.0 112.676 -172.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.03 -39.03 51.63 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.841 -1.162 . . . . 10.0 112.151 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.379 3.1 t60 -72.37 -19.31 61.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.454 1.501 . . . . 10.0 111.512 169.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 -41.33 28.97 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 120.347 -1.471 . . . . 10.0 108.945 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.65 -40.23 95.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.28 1.4 . . . . 10.0 111.475 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.59 -22.98 67.11 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 120.943 -1.098 . . . . 10.0 110.503 168.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.1 tp -78.68 -41.57 30.81 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 117.564 -1.207 . . . . 10.0 112.742 173.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.5 m -60.93 -41.91 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 120.627 1.558 . . . . 10.0 110.187 169.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 m -65.63 -42.16 91.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-O 116.695 -1.621 . . . . 10.0 108.526 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.23 76.52 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 121.592 1.996 . . . . 10.0 111.617 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.4 mmm180 -61.28 -45.56 93.97 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.701 0.682 . . . . 10.0 110.405 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.68 -33.47 75.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.836 2.055 . . . . 10.0 113.331 177.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -72.16 -38.89 69.05 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.202 1.401 . . . . 10.0 109.327 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 77' ' ' LEU 0.461 0.0 OUTLIER -69.29 -35.15 75.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.428 -0.796 . . . . 10.0 111.63 172.32 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -32.99 74.86 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 119.634 -1.916 . . . . 10.0 113.307 169.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.12 -25.35 62.55 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.756 1.223 . . . . 10.0 112.438 171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.01 -31.03 39.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.828 -1.17 . . . . 10.0 111.884 169.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.61 -39.73 88.48 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.175 -1.578 . . . . 10.0 109.44 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.8 tptt -59.93 -21.57 61.29 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 124.592 1.157 . . . . 10.0 112.155 169.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.01 -46.6 14.8 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.263 1.579 . . . . 10.0 115.263 172.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.332 2.9 p -64.94 -19.66 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 121.001 -1.062 . . . . 10.0 111.346 169.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.97 -48.89 74.66 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.364 -1.46 . . . . 10.0 111.382 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.02 -37.89 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.279 1.432 . . . . 10.0 113.972 -169.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.19 78.51 6.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.453 0.701 . . . . 10.0 111.045 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.268 5.8 Cg_endo -60.58 54.75 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 1 C-N-CA 127.005 5.136 . . . . 10.0 117.522 -176.599 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.3 m-20 -74.21 147.7 42.25 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 120.292 -1.505 . . . . 10.0 108.602 167.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.79 -24.03 55.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.051 0.759 . . . . 10.0 113.051 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.04 -40.85 86.37 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.229 0 CA-C-O 116.198 -1.858 . . . . 10.0 114.354 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -69.03 -25.99 64.76 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 122.854 2.57 . . . . 10.0 109.682 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.0 mttt -76.98 -36.77 56.21 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.628 1.571 . . . . 10.0 111.706 170.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -72.88 -35.19 67.09 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 122.986 1.374 . . . . 10.0 114.013 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 m -62.77 -28.88 70.29 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 130.243 3.417 . . . . 10.0 108.464 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.625 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -64.84 -53.51 45.62 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 119.003 -1.079 . . . . 10.0 110.64 167.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -58.62 -26.87 64.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.935 1.294 . . . . 10.0 113.107 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -72.22 -45.55 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.983 2.513 . . . . 10.0 113.455 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.29 -40.76 81.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.657 1.218 . . . . 10.0 111.816 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -64.11 -27.37 69.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.516 2.726 . . . . 10.0 111.745 169.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.75 63.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.555 1.142 . . . . 10.0 111.619 169.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.21 75.36 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 120.178 1.354 . . . . 10.0 108.981 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 58' ' ' LEU . 40.3 t -51.77 -39.51 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 120.844 1.656 . . . . 10.0 110.578 172.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -67.86 -36.71 80.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.228 1.376 . . . . 10.0 113.95 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -56.87 -55.09 38.93 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.125 1.37 . . . . 10.0 110.443 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.0 -42.14 98.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 129.029 2.932 . . . . 10.0 110.763 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.55 -43.07 70.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.151 1.78 . . . . 10.0 111.069 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 m -58.25 -49.17 78.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.942 0.897 . . . . 10.0 110.178 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.65 -60.26 3.54 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 117.058 -1.448 . . . . 10.0 108.913 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.16 -27.37 69.33 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 121.532 1.969 . . . . 10.0 114.752 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.55 -50.06 51.79 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 121.027 1.739 . . . . 10.0 111.013 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -34.13 76.97 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.125 0.963 . . . . 10.0 113.571 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.9 tp -72.66 -53.3 12.15 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 130.852 3.661 . . . . 10.0 110.312 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.0 mttm -60.98 -28.77 69.25 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.069 0.948 . . . . 10.0 110.502 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -38.07 59.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.362 1.465 . . . . 10.0 113.447 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -55.7 -43.52 76.53 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 120.562 1.528 . . . . 10.0 107.84 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . 2.0 mp -58.58 -52.6 64.99 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.407 -1.282 . . . . 10.0 113.013 171.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.29 -25.1 47.22 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 121.387 1.903 . . . . 10.0 114.309 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.58 -45.16 17.81 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.538 1.135 . . . . 10.0 113.694 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.1 mp -54.31 -53.11 58.28 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.168 2.587 . . . . 10.0 112.725 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.441 -0.885 0 C-N-CA 126.849 2.059 . . . . 10.0 107.78 -169.576 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 118.131 -0.937 . . . . 10.0 112.482 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.65 -49.71 75.58 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.816 1.644 . . . . 10.0 110.293 169.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.84 -28.21 68.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 120.314 -0.554 . . . . 10.0 111.726 -169.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -74.53 -47.72 31.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.96 2.904 . . . . 10.0 113.452 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.72 -37.11 27.83 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -174.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.08 67.64 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.077 1.351 . . . . 10.0 110.486 170.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.16 -38.4 36.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.595 1.158 . . . . 10.0 111.102 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -59.62 -42.62 93.09 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.702 0.801 . . . . 10.0 111.698 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -49.26 -57.25 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 C-N-CA 125.64 1.576 . . . . 10.0 108.751 169.669 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.98 -40.94 87.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.099 0.959 . . . . 10.0 112.025 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -36.8 63.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.411 1.005 . . . . 10.0 112.606 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.308 2.3 t-80 -73.68 -20.31 60.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.391 1.476 . . . . 10.0 110.86 170.138 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.93 -42.74 32.04 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.201 -1.562 . . . . 10.0 109.906 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.48 -39.51 88.8 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 120.129 1.331 . . . . 10.0 111.035 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.88 -24.6 67.8 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.037 -1.039 . . . . 10.0 110.228 168.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.23 -42.92 35.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.677 -1.154 . . . . 10.0 113.674 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.3 m -60.88 -42.51 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.649 1.568 . . . . 10.0 110.346 170.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.6 m -66.8 -37.46 84.58 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 116.558 -1.687 . . . . 10.0 109.35 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.15 79.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 121.215 1.825 . . . . 10.0 111.154 172.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.1 mmm180 -63.48 -45.99 88.21 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.24 0.927 . . . . 10.0 110.365 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -28.3 69.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.192 2.197 . . . . 10.0 113.077 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -40.7 26.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.934 2.093 . . . . 10.0 109.952 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.347 0.3 OUTLIER -65.7 -34.76 78.96 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.716 -0.659 . . . . 10.0 111.219 169.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.64 72.72 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 119.732 -1.855 . . . . 10.0 112.645 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.43 -23.13 61.79 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.325 1.05 . . . . 10.0 112.057 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.32 -32.81 37.86 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.412 -1.43 . . . . 10.0 112.202 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.8 -37.43 82.0 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.463 -1.398 . . . . 10.0 109.966 169.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.6 tptt -56.79 -37.8 71.65 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.749 0.819 . . . . 10.0 110.363 169.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -38.22 75.41 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.31 4.2 p -77.25 -21.74 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-N 118.896 0.771 . . . . 10.0 112.488 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.48 -38.84 92.42 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 120.135 -1.603 . . . . 10.0 111.602 168.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -109.63 -24.58 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 117.329 2.344 . . . . 10.0 117.329 -166.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -151.29 72.56 8.42 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.386 0.674 . . . . 10.0 111.947 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 3.3 Cg_endo -58.72 49.85 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.118 1 C-N-CA 127.566 5.511 . . . . 10.0 119.114 -173.773 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 82.9 m-20 -72.79 149.16 43.88 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 119.81 -1.806 . . . . 10.0 108.744 167.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.3 m-20 -56.95 -26.32 59.42 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.754 0.649 . . . . 10.0 112.754 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.0 -40.75 90.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.159 0 CA-C-O 116.377 -1.773 . . . . 10.0 114.7 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.17 -24.41 64.06 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 122.531 2.423 . . . . 10.0 109.922 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.3 mttt -76.76 -43.36 37.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.613 1.565 . . . . 10.0 111.183 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.05 -33.86 76.75 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -64.58 -30.1 71.13 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 129.586 3.155 . . . . 10.0 109.177 169.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.2 tm? -65.18 -51.47 60.87 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 118.29 -1.364 . . . . 10.0 109.774 167.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -57.8 -26.74 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.544 1.138 . . . . 10.0 113.604 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -75.22 -44.49 46.02 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.965 2.506 . . . . 10.0 113.726 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -68.71 -38.63 80.38 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.819 -1.176 . . . . 10.0 111.618 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -62.81 -31.0 71.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.077 2.551 . . . . 10.0 111.705 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.42 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.012 0.925 . . . . 10.0 111.843 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.83 61.35 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 120.084 1.311 . . . . 10.0 109.615 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -51.39 -38.09 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 120.955 1.707 . . . . 10.0 110.3 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -68.93 -39.05 79.81 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.922 1.237 . . . . 10.0 114.005 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -55.19 32.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.337 1.455 . . . . 10.0 110.57 169.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.11 -43.37 98.98 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.424 3.09 . . . . 10.0 111.159 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.41 -43.39 70.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.894 1.678 . . . . 10.0 110.823 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.1 m -56.93 -49.88 74.29 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.105 0.962 . . . . 10.0 109.828 171.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.3 -60.51 3.21 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.541 -1.695 . . . . 10.0 108.9 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.414 1.916 . . . . 10.0 114.935 -170.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.76 -50.71 52.03 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.548 1.522 . . . . 10.0 110.641 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -33.96 75.17 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.097 0.948 . . . . 10.0 113.432 175.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -72.88 -52.98 12.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 130.611 3.564 . . . . 10.0 109.983 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -61.53 -30.33 70.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.128 0.971 . . . . 10.0 110.571 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -34.53 60.51 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.917 1.287 . . . . 10.0 113.338 168.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.72 -43.34 85.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 120.501 1.5 . . . . 10.0 107.53 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.82 -52.16 66.89 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 117.289 -1.339 . . . . 10.0 113.114 172.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.28 -24.86 57.65 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 121.428 1.922 . . . . 10.0 114.236 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.49 -44.08 19.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.471 1.109 . . . . 10.0 113.674 169.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -52.82 62.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.223 2.609 . . . . 10.0 112.766 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.443 -0.82 0 C-N-CA 126.647 1.979 . . . . 10.0 107.826 -169.537 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 118.046 -0.978 . . . . 10.0 111.761 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD11 HG22 ' A' ' 102' ' ' VAL . 1.9 mm? -57.25 -51.52 69.02 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.621 1.555 . . . . 10.0 109.505 169.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.05 -25.66 65.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 120.55 -0.46 . . . . 10.0 112.178 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -78.84 -42.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.75 2.82 . . . . 10.0 114.009 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -36.89 30.34 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.913 -1.117 . . . . 10.0 112.941 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -24.46 66.61 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.672 1.589 . . . . 10.0 110.676 169.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.02 -39.59 29.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.362 1.465 . . . . 10.0 111.154 169.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.54 -42.34 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 10.0 111.84 171.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.446 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.47 -57.19 2.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 C-N-CA 125.6 1.56 . . . . 10.0 108.551 169.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.04 80.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.056 0.542 . . . . 10.0 111.927 -172.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -43.84 61.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.608 1.094 . . . . 10.0 112.26 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.545 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.324 2.1 t-80 -68.18 -20.0 64.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.81 1.244 . . . . 10.0 111.44 170.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -78.09 -42.88 30.72 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 120.179 -1.576 . . . . 10.0 109.749 168.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -66.13 -37.91 86.86 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.677 1.581 . . . . 10.0 111.238 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.12 -24.01 67.3 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -0.969 . . . . 10.0 110.147 168.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 87' ' ' LEU . 20.9 tp -79.65 -42.92 23.81 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 117.708 -1.139 . . . . 10.0 113.51 174.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.9 m -60.2 -41.89 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 120.586 1.539 . . . . 10.0 109.997 170.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.9 m -69.03 -34.5 75.32 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 116.047 -1.93 . . . . 10.0 110.339 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.05 79.55 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.54 1.973 . . . . 10.0 111.189 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -64.09 -45.92 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.211 0.914 . . . . 10.0 110.546 169.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.87 -29.7 70.66 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.408 2.283 . . . . 10.0 112.893 178.068 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -76.96 -42.26 39.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 127.097 2.159 . . . . 10.0 110.127 174.105 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -65.02 -33.54 76.29 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 118.607 -0.711 . . . . 10.0 111.561 171.069 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -30.93 71.38 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 119.859 -1.776 . . . . 10.0 112.854 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.99 -22.72 60.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.342 1.057 . . . . 10.0 111.858 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.22 -32.54 38.47 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.364 -1.46 . . . . 10.0 111.69 168.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.91 -37.1 81.27 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.511 -1.368 . . . . 10.0 110.017 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 18.5 tptt -57.19 -37.62 72.43 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.492 0.717 . . . . 10.0 110.393 169.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.2 -38.07 75.23 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -77.36 -21.85 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.943 0.792 . . . . 10.0 112.456 169.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.16 -38.24 90.34 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.098 -1.626 . . . . 10.0 111.472 168.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.9 p -109.65 -24.72 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -166.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -151.29 72.96 8.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.314 0.645 . . . . 10.0 111.859 169.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.3 Cg_endo -59.64 50.03 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.142 1 C-N-CA 127.382 5.388 . . . . 10.0 118.974 -173.84 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 80.1 m-20 -73.48 149.87 42.02 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 119.943 -1.723 . . . . 10.0 108.643 167.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 77.4 m-20 -57.66 -23.03 49.22 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.56 -41.08 87.83 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 CA-C-O 116.185 -1.864 . . . . 10.0 114.376 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -69.99 -25.2 63.49 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 122.753 2.524 . . . . 10.0 109.968 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -76.06 -41.65 49.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.61 1.564 . . . . 10.0 111.056 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -67.84 -32.81 73.59 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 122.844 1.306 . . . . 10.0 114.364 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.3 m -66.54 -29.5 69.6 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 130.087 3.355 . . . . 10.0 108.963 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -65.86 -51.15 61.3 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 118.405 -1.318 . . . . 10.0 109.401 167.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.91 -26.26 61.94 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.485 1.114 . . . . 10.0 113.728 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -75.44 -45.25 39.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.859 2.463 . . . . 10.0 113.767 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.92 -39.22 83.56 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.898 -1.126 . . . . 10.0 111.375 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -62.88 -30.38 71.48 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 128.379 2.671 . . . . 10.0 111.845 169.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.41 69.14 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.008 0.923 . . . . 10.0 111.678 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.62 65.26 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.932 1.242 . . . . 10.0 109.378 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.7 -38.26 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 121.019 1.736 . . . . 10.0 110.307 173.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -69.2 -37.83 78.29 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 120.069 1.304 . . . . 10.0 113.975 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.4 m -55.88 -54.96 38.32 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.398 1.479 . . . . 10.0 110.312 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.745 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.91 -42.77 99.9 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 129.456 3.102 . . . . 10.0 111.197 -175.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.34 -42.37 68.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.886 1.674 . . . . 10.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -57.65 -48.64 78.92 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.64 0.776 . . . . 10.0 110.029 171.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.81 -60.41 3.4 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 116.725 -1.607 . . . . 10.0 109.158 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.75 -26.79 68.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 121.684 2.038 . . . . 10.0 114.332 -171.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.66 -51.66 39.89 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.517 1.508 . . . . 10.0 110.585 168.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -34.11 75.03 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.712 1.256 . . . . 10.0 113.492 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.4 tp -73.02 -53.5 10.99 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 130.133 3.373 . . . . 10.0 110.013 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.2 mttm -61.92 -28.79 69.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.036 0.934 . . . . 10.0 110.638 174.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -34.16 58.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.703 1.601 . . . . 10.0 113.863 169.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -59.46 -44.59 92.97 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 120.419 1.463 . . . . 10.0 107.063 168.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.68 -52.04 67.08 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.429 171.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.1 -24.48 54.31 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.444 1.929 . . . . 10.0 114.333 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -80.68 -45.83 16.54 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.455 1.102 . . . . 10.0 113.613 169.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.03 -52.94 59.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.346 2.658 . . . . 10.0 112.529 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 42.4 t . . . . . 0 N--CA 1.442 -0.839 0 C-N-CA 126.822 2.049 . . . . 10.0 107.878 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 118.017 -0.992 . . . . 10.0 112.079 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 101' ' ' LEU . 2.7 mm? -57.81 -51.19 70.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.9 1.682 . . . . 10.0 109.645 169.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.58 -30.36 70.64 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 120.306 -0.557 . . . . 10.0 111.369 -169.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -71.61 -46.59 58.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.645 2.778 . . . . 10.0 114.11 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -36.82 29.56 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 124.855 1.262 . . . . 10.0 113.756 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -26.13 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.418 1.487 . . . . 10.0 110.573 170.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.5 -38.49 34.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 10.0 110.891 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -39.04 87.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.177 -0.952 . . . . 10.0 112.036 172.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.81 -57.16 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 125.69 1.596 . . . . 10.0 107.788 169.793 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -35.58 79.35 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.519 1.128 . . . . 10.0 112.691 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.08 36.23 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 120.614 -1.304 . . . . 10.0 112.605 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.305 3.4 t-80 -73.63 -20.4 60.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.255 1.022 . . . . 10.0 110.447 169.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.87 -42.68 38.93 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 120.388 -1.445 . . . . 10.0 109.582 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.03 -39.71 90.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 120.016 1.28 . . . . 10.0 111.093 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -63.73 -24.31 67.72 Favored 'General case' 0 C--O 1.225 -0.21 0 O-C-N 121.204 -0.935 . . . . 10.0 110.247 168.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.3 tp -78.06 -43.01 30.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.675 -1.155 . . . . 10.0 113.732 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.5 m -60.68 -42.42 91.87 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 120.775 1.625 . . . . 10.0 110.293 169.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -67.44 -35.47 79.3 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 116.371 -1.776 . . . . 10.0 109.668 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.47 81.25 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.38 1.9 . . . . 10.0 111.122 171.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -63.57 -45.14 91.8 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.171 0.896 . . . . 10.0 110.499 169.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -29.4 70.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.101 2.161 . . . . 10.0 112.691 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -39.83 37.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.839 2.056 . . . . 10.0 109.586 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.8 -37.1 85.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.935 -0.555 . . . . 10.0 110.851 169.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -65.38 -32.29 73.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 119.589 -1.944 . . . . 10.0 112.633 171.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 38.1 t70 -70.51 -22.78 62.6 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.595 1.158 . . . . 10.0 112.399 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.35 -33.34 37.4 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.535 -1.353 . . . . 10.0 112.204 168.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -66.18 -39.47 89.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.378 -1.451 . . . . 10.0 109.509 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . 1.4 tptm -61.1 -19.86 61.95 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.195 1.398 . . . . 10.0 112.257 169.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.94 -45.79 13.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 171.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.347 3.5 p -65.36 -19.51 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 120.895 -1.128 . . . . 10.0 111.402 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.6 -48.94 75.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.282 1.433 . . . . 10.0 111.163 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.5 m -87.76 -37.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.422 1.489 . . . . 10.0 113.888 -169.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.01 76.51 7.19 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.518 0.727 . . . . 10.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.8 Cg_endo -61.66 54.78 0.11 Allowed 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.914 5.076 . . . . 10.0 117.664 -175.311 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -75.44 150.44 38.27 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 120.342 -1.474 . . . . 10.0 108.441 167.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.7 t70 -55.72 -27.48 50.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.701 0.762 . . . . 10.0 112.808 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.09 -42.26 95.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 CA-C-O 116.195 -1.859 . . . . 10.0 114.661 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -69.26 -23.42 63.85 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 122.826 2.557 . . . . 10.0 109.785 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 12.3 mttt -79.31 -39.64 32.35 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.224 1.41 . . . . 10.0 111.293 171.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 t -69.34 -31.86 70.57 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.464 -1.398 . . . . 10.0 114.095 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -65.29 -30.65 71.54 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 129.344 3.058 . . . . 10.0 108.156 168.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.29 -52.47 47.15 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 118.675 -1.21 . . . . 10.0 109.8 167.403 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -56.53 -24.93 50.08 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.177 1.391 . . . . 10.0 113.892 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 129.527 3.131 . . . . 10.0 114.062 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -66.45 -39.39 88.83 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.842 -1.161 . . . . 10.0 111.22 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -62.11 -31.37 71.82 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.308 2.643 . . . . 10.0 111.861 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.01 70.37 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 118.211 -0.899 . . . . 10.0 111.746 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.94 76.85 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 120.679 1.581 . . . . 10.0 110.32 168.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.44 -37.46 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.75 1.614 . . . . 10.0 110.064 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -69.25 -39.21 78.62 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.047 1.294 . . . . 10.0 114.167 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 m -54.13 -54.96 32.47 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.311 1.444 . . . . 10.0 110.642 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.47 -43.85 97.82 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 129.273 3.029 . . . . 10.0 111.106 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.58 -42.69 74.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.471 1.509 . . . . 10.0 110.803 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.4 m -57.69 -49.3 76.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.069 0.948 . . . . 10.0 110.198 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -53.25 -60.31 3.46 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 116.643 -1.646 . . . . 10.0 108.841 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.02 -29.84 71.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 121.375 1.898 . . . . 10.0 114.621 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.27 60.28 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.883 1.674 . . . . 10.0 111.133 169.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.87 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 117.976 0.888 . . . . 10.0 113.337 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.1 tp -72.1 -51.75 20.04 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 130.422 3.489 . . . . 10.0 110.214 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.554 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -61.51 -30.33 70.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.45 1.1 . . . . 10.0 110.352 173.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -34.93 61.88 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.156 1.382 . . . . 10.0 113.577 169.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -58.61 -43.33 89.59 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 120.408 1.458 . . . . 10.0 107.67 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.56 -52.33 66.1 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 117.27 -1.348 . . . . 10.0 112.709 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 121.563 1.983 . . . . 10.0 114.238 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -45.01 17.94 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.49 1.116 . . . . 10.0 113.598 168.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -54.62 -52.96 60.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.11 2.564 . . . . 10.0 112.548 174.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.441 -0.881 0 C-N-CA 126.727 2.011 . . . . 10.0 107.865 -169.524 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 117.947 -1.025 . . . . 10.0 111.765 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 1.6 mm? -56.82 -51.45 68.91 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.54 1.518 . . . . 10.0 109.813 169.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.65 -34.31 77.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.145 -170.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.33 -46.64 72.86 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.363 2.265 . . . . 10.0 112.988 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -36.61 33.99 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 119.699 1.136 . . . . 10.0 112.583 -172.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -65.85 -26.74 67.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.831 1.653 . . . . 10.0 110.757 170.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.0 -38.09 37.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.068 1.347 . . . . 10.0 111.462 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.51 -42.73 96.97 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.824 1.25 . . . . 10.0 111.029 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.76 -58.05 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 125.947 1.699 . . . . 10.0 108.649 169.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -38.86 78.65 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.912 0.485 . . . . 10.0 111.914 -172.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -39.83 70.82 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.379 0.99 . . . . 10.0 112.295 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.371 2.8 t60 -72.79 -20.01 61.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.445 1.498 . . . . 10.0 111.797 170.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.93 -40.99 37.85 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 119.931 -1.731 . . . . 10.0 109.307 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -37.75 86.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.419 1.463 . . . . 10.0 111.344 174.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.41 -23.45 66.31 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 121.004 -1.06 . . . . 10.0 110.264 168.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.82 -43.02 31.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 117.647 -1.168 . . . . 10.0 113.573 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m -60.59 -41.22 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 120.682 1.583 . . . . 10.0 110.205 169.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -67.73 -40.16 84.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 115.99 -1.957 . . . . 10.0 109.004 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.64 74.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 122.114 2.233 . . . . 10.0 111.484 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.4 mmm180 -61.97 -46.76 87.84 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.774 0.715 . . . . 10.0 110.531 169.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.98 -32.91 74.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.987 2.115 . . . . 10.0 113.154 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.77 -39.93 63.82 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 125.543 1.537 . . . . 10.0 109.422 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 77' ' ' LEU 0.463 0.0 OUTLIER -67.95 -33.07 73.96 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.326 -0.845 . . . . 10.0 111.566 172.187 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.85 73.77 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.798 -1.814 . . . . 10.0 113.34 169.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.3 -25.46 62.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.84 1.256 . . . . 10.0 112.231 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.75 37.84 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.711 -1.243 . . . . 10.0 111.81 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.36 -38.25 84.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.167 -1.583 . . . . 10.0 109.346 169.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.0 tptt -56.53 -36.64 69.45 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.794 0.838 . . . . 10.0 110.355 169.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.22 -39.53 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.312 3.3 p -76.13 -22.12 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-N 118.88 0.764 . . . . 10.0 112.487 169.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.06 -37.61 88.07 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 119.997 -1.689 . . . . 10.0 111.791 168.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.6 p -111.3 -24.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 117.508 2.41 . . . . 10.0 117.508 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -150.87 71.71 8.75 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.55 0.74 . . . . 10.0 112.137 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.275 4.8 Cg_endo -59.37 51.47 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.128 1 C-N-CA 127.609 5.539 . . . . 10.0 118.986 -173.608 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.9 m-20 -73.58 149.14 42.32 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.857 -1.777 . . . . 10.0 108.91 167.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.48 -23.08 47.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.73 -45.69 87.48 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 CA-C-O 116.422 -1.752 . . . . 10.0 113.326 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -64.85 -24.64 67.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.041 2.655 . . . . 10.0 110.59 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -79.1 -29.35 43.23 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.906 1.683 . . . . 10.0 112.981 171.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.7 m -80.36 -39.53 28.33 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.049 1.739 . . . . 10.0 113.876 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.2 m -57.94 -29.64 65.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 130.519 3.528 . . . . 10.0 108.04 167.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.5 -54.1 41.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 118.933 -1.107 . . . . 10.0 111.336 168.112 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -59.27 -26.09 64.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 125.979 1.712 . . . . 10.0 112.746 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.67 -45.7 57.59 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.15 2.58 . . . . 10.0 113.128 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.48 -41.19 80.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.766 1.27 . . . . 10.0 111.887 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -64.21 -28.14 69.54 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.402 2.681 . . . . 10.0 111.685 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.38 -32.71 64.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.163 0.985 . . . . 10.0 111.327 169.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.78 75.19 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.011 1.278 . . . . 10.0 109.053 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 58' ' ' LEU . 43.5 t -51.54 -39.75 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.983 1.719 . . . . 10.0 110.721 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -68.32 -38.47 81.61 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.086 1.312 . . . . 10.0 113.824 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.9 m -54.92 -54.73 38.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.272 1.429 . . . . 10.0 110.557 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.97 -44.16 96.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 129.44 3.096 . . . . 10.0 111.196 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.29 -43.46 73.81 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.879 1.672 . . . . 10.0 110.597 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -58.27 -49.42 77.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.885 0.874 . . . . 10.0 110.364 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -53.22 -60.26 3.52 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 116.96 -1.495 . . . . 10.0 108.962 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.564 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.9 mm? -62.98 -28.95 70.44 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 121.231 1.832 . . . . 10.0 114.842 -171.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.3 -50.7 54.85 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 120.761 1.619 . . . . 10.0 110.747 168.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -31.58 72.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.349 1.075 . . . . 10.0 113.751 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -74.83 -52.27 11.81 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 129.944 3.298 . . . . 10.0 109.696 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.4 mttm -61.37 -31.02 70.91 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.23 1.012 . . . . 10.0 110.497 174.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -35.22 61.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.963 1.305 . . . . 10.0 113.591 169.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.07 -43.49 82.16 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.775 1.625 . . . . 10.0 107.835 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.72 -52.11 67.09 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.574 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -24.54 51.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.341 1.882 . . . . 10.0 114.476 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.63 -44.96 18.03 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.601 1.091 . . . . 10.0 113.668 169.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -55.15 -53.56 54.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.044 2.537 . . . . 10.0 112.585 174.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.442 -0.832 0 C-N-CA 126.695 1.998 . . . . 10.0 107.775 -169.531 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 118.043 -0.979 . . . . 10.0 112.396 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD11 HG22 ' A' ' 102' ' ' VAL . 3.4 mm? -57.68 -50.13 74.2 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.798 1.635 . . . . 10.0 109.973 169.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.81 -28.56 67.69 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.247 -0.581 . . . . 10.0 111.602 -169.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.73 -46.98 50.75 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.62 2.768 . . . . 10.0 113.295 169.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 -36.75 24.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 124.56 1.144 . . . . 10.0 113.899 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -26.07 67.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.61 1.564 . . . . 10.0 110.341 169.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.3 -38.78 34.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.512 1.125 . . . . 10.0 110.887 168.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.67 -42.47 92.93 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.779 0.832 . . . . 10.0 111.651 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.476 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.51 -56.98 2.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 C-N-CA 125.809 1.643 . . . . 10.0 108.448 169.678 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -38.86 82.69 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.97 0.908 . . . . 10.0 112.331 -173.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.9 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.983 -1.073 . . . . 10.0 112.265 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.298 2.1 t-80 -71.42 -19.5 62.24 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.785 1.634 . . . . 10.0 110.651 169.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.78 -41.74 29.72 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.088 -1.632 . . . . 10.0 109.153 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.27 -38.62 88.23 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.272 1.396 . . . . 10.0 111.432 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -70.96 -19.11 62.59 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 120.882 -1.136 . . . . 10.0 110.746 168.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 16.6 tp -74.09 -42.61 59.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 120.42 1.463 . . . . 10.0 112.698 169.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.8 m -61.13 -42.56 93.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 120.21 1.368 . . . . 10.0 110.407 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -66.1 -38.9 89.36 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 116.135 -1.888 . . . . 10.0 109.324 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.05 77.96 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 122.226 2.284 . . . . 10.0 111.32 173.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.1 mmm180 -62.9 -42.3 99.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.985 0.811 . . . . 10.0 110.765 169.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.597 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.93 -34.18 73.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.294 2.237 . . . . 10.0 113.475 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -72.35 -38.64 68.54 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.949 1.7 . . . . 10.0 109.046 172.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.37 0.2 OUTLIER -66.8 -36.75 83.11 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.43 172.004 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.11 -31.5 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 119.967 -1.708 . . . . 10.0 112.658 171.454 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.51 -24.07 62.77 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.697 1.199 . . . . 10.0 112.441 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.46 40.29 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.815 -1.178 . . . . 10.0 112.237 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.62 -39.91 88.55 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.308 -1.495 . . . . 10.0 109.704 169.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -61.05 -19.82 61.84 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 125.427 1.491 . . . . 10.0 112.222 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -83.13 -45.6 13.76 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.03 1.493 . . . . 10.0 115.03 171.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.5 p -65.64 -19.65 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 120.888 -1.133 . . . . 10.0 111.424 169.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.07 -48.48 78.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.382 1.473 . . . . 10.0 111.21 167.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 22.5 m -88.92 -37.47 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.5 1.52 . . . . 10.0 113.92 -169.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -151.93 76.54 7.24 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 10.0 111.647 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.264 7.5 Cg_endo -61.57 51.71 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.087 1 C-N-CA 126.983 5.122 . . . . 10.0 117.819 -175.808 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.7 m-20 -73.46 149.84 42.08 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.178 -1.576 . . . . 10.0 108.209 167.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.1 m-20 -57.73 -22.5 46.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.76 -41.89 88.57 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 CA-C-O 116.164 -1.874 . . . . 10.0 114.507 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -69.97 -25.13 63.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.789 2.541 . . . . 10.0 109.765 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.9 mttt -76.5 -41.98 45.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.417 1.487 . . . . 10.0 111.078 169.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -66.5 -32.58 74.02 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.97 1.367 . . . . 10.0 114.182 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 m -66.81 -29.72 69.73 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 130.167 3.387 . . . . 10.0 108.954 169.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -66.23 -50.8 62.57 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.51 -1.276 . . . . 10.0 109.545 167.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -57.97 -26.98 63.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 10.0 113.73 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -74.4 -45.06 49.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.763 2.425 . . . . 10.0 113.557 170.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -68.06 -38.52 82.52 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.866 -1.146 . . . . 10.0 111.475 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.377 2.671 . . . . 10.0 111.816 169.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.23 68.03 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.163 0.985 . . . . 10.0 111.626 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.92 -48.75 67.69 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 119.937 1.244 . . . . 10.0 109.57 168.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.14 -39.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 121.155 1.798 . . . . 10.0 110.281 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.58 -36.98 81.94 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.15 1.341 . . . . 10.0 113.914 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -57.53 -56.13 25.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.39 1.476 . . . . 10.0 110.718 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.3 mm? -60.65 -42.13 96.38 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.59 3.156 . . . . 10.0 110.447 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.04 -43.76 64.44 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.319 1.848 . . . . 10.0 111.335 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.8 m -57.97 -48.2 80.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.507 0.723 . . . . 10.0 110.129 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -54.68 -60.29 3.56 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 116.391 -1.766 . . . . 10.0 109.029 172.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -62.92 -29.29 70.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 121.695 2.043 . . . . 10.0 114.635 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.08 -51.9 49.14 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 120.396 1.453 . . . . 10.0 110.355 169.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -32.56 73.99 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.905 1.353 . . . . 10.0 114.126 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.4 tp -72.2 -51.49 20.89 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 129.439 3.096 . . . . 10.0 109.36 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.5 mttm -62.33 -30.97 71.55 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.102 0.961 . . . . 10.0 110.574 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.6 59.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.797 1.239 . . . . 10.0 113.631 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.92 -45.09 96.05 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 120.508 1.504 . . . . 10.0 107.078 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.73 -50.68 71.5 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 117.423 -1.275 . . . . 10.0 112.439 173.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -25.35 60.46 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 121.224 1.829 . . . . 10.0 114.772 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.6 -43.82 19.93 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.491 1.041 . . . . 10.0 113.676 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -53.37 55.76 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 128.233 2.613 . . . . 10.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 40.8 t . . . . . 0 N--CA 1.441 -0.88 0 C-N-CA 126.822 2.049 . . . . 10.0 107.921 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 117.979 -1.01 . . . . 10.0 112.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.32 -50.12 72.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.652 1.569 . . . . 10.0 110.082 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.01 -38.04 87.43 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.705 -0.398 . . . . 10.0 110.748 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.66 -48.46 77.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.767 2.027 . . . . 10.0 112.768 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -36.06 34.45 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.431 1.014 . . . . 10.0 112.842 -171.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -66.68 -26.44 67.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.652 1.581 . . . . 10.0 110.951 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.55 -37.72 35.8 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.562 1.145 . . . . 10.0 111.073 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.52 -43.69 93.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.944 1.297 . . . . 10.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.5 -57.67 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 125.798 1.639 . . . . 10.0 108.366 169.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -39.15 85.11 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.982 0.913 . . . . 10.0 112.405 -172.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.22 64.66 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.071 -1.018 . . . . 10.0 112.017 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.385 3.2 t60 -71.61 -19.3 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.806 1.642 . . . . 10.0 112.004 170.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.43 -41.34 27.85 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.31 -1.494 . . . . 10.0 109.525 168.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.51 -37.69 85.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.466 1.485 . . . . 10.0 111.379 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.54 -22.78 66.74 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.086 -1.009 . . . . 10.0 110.068 168.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.4 tp -80.12 -43.15 22.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 117.521 -1.228 . . . . 10.0 113.115 174.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.4 m -59.98 -42.05 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 CA-C-N 120.604 1.547 . . . . 10.0 109.882 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 m -67.02 -39.49 87.07 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.901 -1.999 . . . . 10.0 109.122 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.73 76.43 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 122.301 2.319 . . . . 10.0 111.576 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -63.14 -42.48 99.49 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.982 0.81 . . . . 10.0 110.785 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.31 -34.12 74.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.224 2.21 . . . . 10.0 113.242 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.04 -38.74 69.47 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 125.894 1.677 . . . . 10.0 109.146 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.2 OUTLIER -66.97 -37.07 83.57 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.979 -0.534 . . . . 10.0 111.441 171.692 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.31 -30.51 71.37 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.846 -1.784 . . . . 10.0 112.658 171.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.33 -24.94 62.21 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.626 1.171 . . . . 10.0 112.298 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.77 48.74 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.544 -1.347 . . . . 10.0 112.082 169.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.2 -38.51 85.45 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.52 -1.362 . . . . 10.0 109.997 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.49 -21.79 62.8 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 117.791 -1.1 . . . . 10.0 112.216 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.87 -46.0 14.71 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.251 1.574 . . . . 10.0 115.251 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p -65.38 -19.78 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 120.915 -1.116 . . . . 10.0 111.477 169.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -47.57 81.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.561 1.544 . . . . 10.0 111.525 168.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.4 m -89.72 -37.62 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.376 1.47 . . . . 10.0 113.867 -169.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -152.09 77.74 6.77 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.602 0.761 . . . . 10.0 111.072 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.272 6.2 Cg_endo -60.92 53.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 126.987 5.125 . . . . 10.0 117.653 -176.35 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 74.4 m-20 -73.67 148.26 42.93 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 120.271 -1.518 . . . . 10.0 108.309 167.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.2 m-20 -57.13 -25.82 59.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.17 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-O 116.275 -1.821 . . . . 10.0 114.842 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.22 -24.41 64.02 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 122.609 2.459 . . . . 10.0 109.623 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -77.59 -42.91 33.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.37 1.468 . . . . 10.0 111.222 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.0 m -65.74 -32.81 74.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.464 -1.398 . . . . 10.0 114.46 171.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 m -65.63 -29.82 70.45 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 129.647 3.179 . . . . 10.0 108.875 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.05 -50.93 62.45 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 118.522 -1.271 . . . . 10.0 109.761 167.342 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -58.42 -26.7 63.57 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.477 1.111 . . . . 10.0 113.746 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.18 -45.04 50.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.089 2.555 . . . . 10.0 113.526 170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.36 -39.47 81.81 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.947 -1.096 . . . . 10.0 111.548 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.43 -30.75 71.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.421 2.689 . . . . 10.0 111.947 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.67 71.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.993 0.917 . . . . 10.0 111.484 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.22 74.17 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 120.372 1.442 . . . . 10.0 110.075 168.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.74 -37.11 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.146 1.794 . . . . 10.0 110.19 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -69.08 -39.06 79.28 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.177 1.353 . . . . 10.0 113.946 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -54.72 -54.64 39.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.203 1.401 . . . . 10.0 110.436 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.32 -42.83 99.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.961 2.904 . . . . 10.0 110.697 -175.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.2 -43.27 71.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.723 1.609 . . . . 10.0 111.068 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 -48.77 79.23 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.11 0.964 . . . . 10.0 110.069 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -54.04 -60.34 3.45 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-O 116.968 -1.492 . . . . 10.0 108.985 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.18 -26.83 68.99 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 121.895 2.134 . . . . 10.0 114.851 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.41 -49.96 47.63 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 120.915 1.689 . . . . 10.0 110.842 168.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.61 75.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.237 1.019 . . . . 10.0 113.588 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -73.58 -53.19 11.09 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 130.84 3.656 . . . . 10.0 110.2 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.582 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.2 mttm -61.45 -28.88 69.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.888 0.875 . . . . 10.0 110.52 174.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.93 60.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.228 1.411 . . . . 10.0 113.414 169.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -55.67 -44.37 77.23 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 120.485 1.493 . . . . 10.0 107.71 169.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.8 -52.73 64.45 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 117.389 -1.291 . . . . 10.0 112.936 172.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.96 53.32 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 121.285 1.857 . . . . 10.0 114.253 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.68 -45.08 17.75 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.522 1.129 . . . . 10.0 113.851 169.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.06 -53.4 53.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.273 2.629 . . . . 10.0 112.384 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.44 -0.938 0 C-N-CA 126.778 2.031 . . . . 10.0 107.878 -169.492 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 118.029 -0.986 . . . . 10.0 111.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 102' ' ' VAL . 2.3 mm? -56.83 -51.13 70.19 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.542 1.519 . . . . 10.0 109.991 169.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.16 -33.43 75.76 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.127 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.66 -48.52 66.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.189 2.196 . . . . 10.0 112.942 169.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -35.5 36.28 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.42 1.009 . . . . 10.0 112.555 -171.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -25.97 66.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.738 1.615 . . . . 10.0 110.706 171.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.11 -37.69 33.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.905 1.282 . . . . 10.0 111.319 168.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.68 -42.4 97.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.658 1.183 . . . . 10.0 111.47 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.503 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -49.98 -56.65 3.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 126.145 1.778 . . . . 10.0 107.853 169.221 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -66.72 -38.82 87.46 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.139 0.976 . . . . 10.0 112.328 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.41 -40.02 58.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.6 1.091 . . . . 10.0 112.677 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.508 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.303 2.6 t-80 -71.36 -19.97 62.22 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.81 1.244 . . . . 10.0 110.625 169.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 52' ' ' VAL . 8.2 mt-10 -76.7 -44.44 33.5 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 120.348 -1.47 . . . . 10.0 109.529 168.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -66.66 -37.44 84.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.797 1.635 . . . . 10.0 111.445 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.03 -26.42 68.26 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 121.278 -0.889 . . . . 10.0 110.225 168.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 87' ' ' LEU . 11.3 tp -73.17 -50.87 20.18 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.105 -0.95 . . . . 10.0 112.938 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 48' ' ' GLU . 1.4 m -58.38 -37.98 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 120.398 1.453 . . . . 10.0 110.306 173.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.1 m -68.52 -42.37 78.62 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 115.864 -2.017 . . . . 10.0 109.664 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.97 65.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.236 2.289 . . . . 10.0 111.25 171.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.27 -39.05 75.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.243 0.617 . . . . 10.0 112.368 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.592 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.1 -32.54 72.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.772 2.029 . . . . 10.0 112.827 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.32 -38.92 68.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.604 1.562 . . . . 10.0 109.301 172.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -67.15 -35.99 80.89 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.577 -0.725 . . . . 10.0 111.785 170.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -64.82 -31.25 72.39 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 119.911 -1.743 . . . . 10.0 112.402 171.495 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.47 -24.02 62.79 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.67 1.188 . . . . 10.0 112.337 169.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.17 -33.44 38.37 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.637 -1.29 . . . . 10.0 112.182 169.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -66.46 -38.39 87.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.359 -1.463 . . . . 10.0 109.858 169.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.34 -22.69 63.54 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.516 1.126 . . . . 10.0 112.106 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.91 -45.97 15.93 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 172.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.335 3.5 p -65.49 -19.74 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.019 -1.051 . . . . 10.0 111.388 169.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.42 -49.07 75.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.302 1.441 . . . . 10.0 111.308 167.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.13 -38.31 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.262 1.425 . . . . 10.0 113.809 -169.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -152.22 78.83 6.36 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 123.415 0.686 . . . . 10.0 110.853 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.9 Cg_endo -60.86 53.51 0.09 OUTLIER 'Trans proline' 0 CA--C 1.545 1.057 1 C-N-CA 127.061 5.174 . . . . 10.0 117.412 -176.655 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.6 m-20 -74.33 148.13 41.61 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 120.335 -1.478 . . . . 10.0 108.433 167.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.8 m-20 -57.86 -22.95 50.67 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -174.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.83 -41.66 88.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 CA-C-O 116.235 -1.84 . . . . 10.0 114.422 169.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -69.91 -25.55 63.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 122.71 2.504 . . . . 10.0 109.592 -175.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.7 mttt -76.4 -41.41 47.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.288 1.435 . . . . 10.0 111.139 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -67.25 -33.77 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.971 1.367 . . . . 10.0 114.228 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.4 m -65.33 -29.48 70.23 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 130.086 3.354 . . . . 10.0 108.847 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.07 -51.36 58.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 118.698 -1.201 . . . . 10.0 109.783 167.485 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.94 -26.4 62.21 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 10.0 113.721 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -74.81 -45.67 41.88 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.959 2.504 . . . . 10.0 113.695 170.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -68.22 -37.89 81.33 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.756 -1.215 . . . . 10.0 111.266 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -62.61 -32.08 73.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.304 2.642 . . . . 10.0 111.85 169.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.51 69.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.394 1.077 . . . . 10.0 111.718 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -48.1 64.96 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 120.065 1.302 . . . . 10.0 109.528 168.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 HD11 ' A' ' 51' ' ' LEU . 69.7 t -54.42 -35.37 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 121.076 1.762 . . . . 10.0 110.188 174.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -69.96 -37.77 75.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.127 1.331 . . . . 10.0 114.292 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.1 m -56.27 -55.79 28.96 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.302 1.441 . . . . 10.0 110.619 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.26 -42.28 98.36 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 129.034 2.934 . . . . 10.0 110.893 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.52 -41.32 72.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.384 1.473 . . . . 10.0 110.892 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -58.07 -49.35 77.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.525 0.73 . . . . 10.0 109.891 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -53.4 -59.98 3.88 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 116.492 -1.718 . . . . 10.0 109.23 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.5 mm? -64.33 -29.47 70.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.615 1.552 . . . . 10.0 114.196 -171.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.56 -48.88 73.81 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 120.438 1.472 . . . . 10.0 110.45 169.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -28.25 67.01 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.715 1.258 . . . . 10.0 114.322 176.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.5 tp -76.35 -48.89 18.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 127.925 2.49 . . . . 10.0 108.706 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 46.2 mttm -65.1 -30.58 71.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.395 1.078 . . . . 10.0 110.692 174.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -38.03 63.84 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 117.616 -1.183 . . . . 10.0 112.771 169.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.76 -48.47 69.68 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.699 -1.593 . . . . 10.0 106.699 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -50.86 69.94 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.781 -1.104 . . . . 10.0 112.002 175.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.85 -27.14 59.85 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.186 1.812 . . . . 10.0 114.961 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.19 -42.77 22.71 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 10.0 113.636 169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.89 -53.46 55.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.12 2.568 . . . . 10.0 112.481 173.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 37' ' ' LEU . 42.2 t . . . . . 0 N--CA 1.442 -0.866 0 C-N-CA 127.091 2.156 . . . . 10.0 108.169 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 118.026 -0.988 . . . . 10.0 112.088 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 102' ' ' VAL . 1.5 mm? -57.73 -50.51 72.98 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.862 1.665 . . . . 10.0 109.963 169.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.81 -41.2 92.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.464 -0.495 . . . . 10.0 110.459 -170.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.29 -47.18 86.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.481 2.713 . . . . 10.0 113.425 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -35.97 32.58 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.143 -0.973 . . . . 10.0 113.046 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -30.1 69.97 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.632 1.573 . . . . 10.0 109.943 169.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.32 -39.95 67.82 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.807 -1.183 . . . . 10.0 111.475 168.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.01 -40.17 96.97 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.751 0.705 . . . . 10.0 112.023 172.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.51 -57.93 3.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 124.973 1.309 . . . . 10.0 108.237 169.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -37.9 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.026 0.53 . . . . 10.0 112.027 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.85 55.08 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.911 -1.118 . . . . 10.0 112.489 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.535 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.298 3.3 t-80 -72.07 -20.48 61.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.743 1.217 . . . . 10.0 110.389 169.654 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.86 -44.2 33.14 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 120.228 -1.545 . . . . 10.0 109.7 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.98 -39.76 90.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.374 1.443 . . . . 10.0 110.938 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -63.7 -26.5 68.69 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.422 -0.799 . . . . 10.0 110.32 168.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.5 tp -72.3 -50.12 29.41 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.777 -1.106 . . . . 10.0 112.707 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -59.18 -39.24 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 121.288 1.858 . . . . 10.0 110.459 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -64.87 -41.79 95.37 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 116.495 -1.717 . . . . 10.0 108.88 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.64 79.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 122.053 2.206 . . . . 10.0 112.084 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -42.99 99.83 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.033 0.833 . . . . 10.0 110.142 169.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.576 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -67.75 -35.13 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.485 1.914 . . . . 10.0 113.225 178.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.9 mmpt? -70.58 -39.0 74.14 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.625 1.57 . . . . 10.0 109.153 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -66.65 -36.72 83.24 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 118.938 -0.553 . . . . 10.0 111.528 171.81 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 119.852 -1.78 . . . . 10.0 112.554 172.042 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.09 -25.24 62.52 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.521 1.128 . . . . 10.0 112.358 169.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -78.03 -33.88 50.85 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.804 -1.185 . . . . 10.0 112.07 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.06 -38.75 86.36 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.456 -1.402 . . . . 10.0 110.035 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.9 tptt -60.37 -22.05 62.84 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.453 1.101 . . . . 10.0 112.265 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.56 -46.42 14.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.339 3.8 p -64.89 -19.76 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.078 -1.014 . . . . 10.0 111.366 169.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.64 -49.37 73.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.51 1.524 . . . . 10.0 111.538 167.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.9 m -87.26 -38.2 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.431 1.492 . . . . 10.0 113.915 -169.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -152.26 78.5 6.43 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.486 0.714 . . . . 10.0 110.814 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 5.3 Cg_endo -60.83 56.46 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.989 1 C-N-CA 126.927 5.085 . . . . 10.0 117.268 -176.534 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -75.12 148.3 39.8 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.43 -1.419 . . . . 10.0 108.708 167.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.2 t70 -55.75 -29.46 59.59 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.43 0.692 . . . . 10.0 112.741 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.42 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.128 0 CA-C-O 116.326 -1.797 . . . . 10.0 114.977 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -68.9 -24.17 64.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 122.555 2.434 . . . . 10.0 109.508 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.8 mttt -79.12 -41.52 28.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.136 1.374 . . . . 10.0 111.05 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.6 -33.31 75.37 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.486 -1.384 . . . . 10.0 114.563 171.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -29.8 70.79 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 129.496 3.118 . . . . 10.0 108.826 169.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.29 -51.71 58.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.464 -1.294 . . . . 10.0 109.915 167.395 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -58.22 -26.43 62.83 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.622 1.169 . . . . 10.0 113.704 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -74.36 -45.84 44.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.03 2.532 . . . . 10.0 113.731 170.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.91 -39.61 83.54 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.969 -1.082 . . . . 10.0 111.419 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -62.16 -31.04 71.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.423 2.689 . . . . 10.0 112.047 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.69 -35.43 72.8 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.3 -0.857 . . . . 10.0 111.615 169.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.84 72.56 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 120.332 1.424 . . . . 10.0 110.334 168.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.86 -38.0 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 120.885 1.675 . . . . 10.0 110.214 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -69.14 -39.36 78.9 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.166 1.348 . . . . 10.0 113.983 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -54.42 -55.16 31.55 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.081 1.352 . . . . 10.0 110.405 169.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.35 99.02 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 129.148 2.979 . . . . 10.0 111.028 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.54 -42.5 71.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 10.0 111.106 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -57.54 -49.6 75.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.769 0.827 . . . . 10.0 110.034 172.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -53.5 -60.51 3.21 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 116.51 -1.71 . . . . 10.0 108.905 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.15 -29.18 70.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 121.463 1.938 . . . . 10.0 114.746 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.12 -50.5 56.87 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 120.949 1.704 . . . . 10.0 111.051 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.49 81.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.012 0.906 . . . . 10.0 113.126 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.7 tp -70.1 -52.35 24.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 130.446 3.498 . . . . 10.0 110.48 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.0 mttt -61.96 -30.26 70.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.232 1.013 . . . . 10.0 110.707 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.32 64.07 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.907 1.283 . . . . 10.0 113.171 169.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -58.99 -44.32 91.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 120.217 1.371 . . . . 10.0 107.856 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.15 -51.51 69.71 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 117.277 -1.344 . . . . 10.0 112.648 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.54 -24.52 56.55 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 121.443 1.929 . . . . 10.0 114.085 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.8 -45.09 17.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.323 1.049 . . . . 10.0 113.589 168.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.66 -53.48 54.21 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.833 2.453 . . . . 10.0 112.523 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.422 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t . . . . . 0 N--CA 1.442 -0.863 0 C-N-CA 127.075 2.15 . . . . 10.0 107.885 -169.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.223 -0.319 0 CA-C-O 117.769 -1.11 . . . . 10.0 112.283 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.16 -50.21 73.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 121.094 1.77 . . . . 10.0 109.941 169.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.89 -34.19 77.56 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 121.178 0.513 . . . . 10.0 111.318 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -68.8 -46.68 68.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.347 2.659 . . . . 10.0 113.398 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.87 -37.51 29.71 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.948 -1.095 . . . . 10.0 113.604 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -25.14 67.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.321 1.449 . . . . 10.0 110.801 171.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.84 -41.46 26.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.285 1.434 . . . . 10.0 111.604 169.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.57 -40.11 82.19 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.836 0.854 . . . . 10.0 111.874 171.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.89 -57.86 2.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 125.209 1.403 . . . . 10.0 108.413 169.487 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.21 -40.52 90.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.434 1.094 . . . . 10.0 112.31 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -36.57 58.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.053 -1.03 . . . . 10.0 112.414 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.304 2.8 t-80 -72.63 -19.97 61.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.862 1.265 . . . . 10.0 110.716 169.706 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.11 -43.02 30.13 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 120.192 -1.567 . . . . 10.0 109.931 168.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.74 -39.84 91.54 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.927 1.24 . . . . 10.0 110.996 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.11 -23.74 67.43 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.131 -0.981 . . . . 10.0 110.449 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.8 tp -77.56 -42.27 35.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 117.681 -1.152 . . . . 10.0 113.628 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.9 m -61.06 -43.0 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 120.773 1.624 . . . . 10.0 110.381 170.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.5 m -65.37 -40.05 93.04 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 116.443 -1.741 . . . . 10.0 108.278 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.39 78.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.904 2.138 . . . . 10.0 111.698 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.0 mmm180 -62.06 -42.85 99.62 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.709 0.766 . . . . 10.0 110.727 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.39 -34.95 75.27 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.831 2.052 . . . . 10.0 113.348 179.179 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.5 mmpt? -70.74 -38.5 73.55 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.94 1.696 . . . . 10.0 109.14 172.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.2 OUTLIER -67.23 -36.84 82.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.016 -0.516 . . . . 10.0 111.484 172.373 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 119.902 -1.749 . . . . 10.0 112.782 171.485 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.23 -24.69 62.24 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.602 1.161 . . . . 10.0 112.411 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.06 49.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.628 -1.295 . . . . 10.0 111.843 169.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.24 -38.75 85.69 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.547 -1.345 . . . . 10.0 109.88 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE3' HG13 ' A' ' 67' ' ' VAL . 13.3 tptt -60.18 -23.51 64.02 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 124.269 1.028 . . . . 10.0 112.006 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.7 -44.16 19.18 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.94 1.459 . . . . 10.0 114.94 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 3.7 p -66.63 -19.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.02 -1.05 . . . . 10.0 111.45 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.77 -49.33 73.41 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.417 -1.427 . . . . 10.0 111.055 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.7 m -87.04 -37.78 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.406 . . . . 10.0 113.677 -169.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.71 75.96 7.56 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.652 0.781 . . . . 10.0 111.694 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.266 7.1 Cg_endo -61.5 51.15 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.06 1 C-N-CA 126.947 5.098 . . . . 10.0 117.851 -176.076 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.7 m-20 -73.48 149.56 42.24 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 120.18 -1.575 . . . . 10.0 108.21 167.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 79.6 m-20 -57.22 -23.2 46.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.65 -42.77 93.47 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 CA-C-O 116.272 -1.823 . . . . 10.0 114.383 169.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -69.51 -23.98 63.69 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 122.741 2.519 . . . . 10.0 109.953 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.8 mttt -77.56 -41.47 38.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.319 1.448 . . . . 10.0 111.304 170.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -33.0 74.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.417 -1.427 . . . . 10.0 114.218 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.5 m -64.93 -31.02 72.06 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 129.52 3.128 . . . . 10.0 108.349 168.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.57 -52.01 50.12 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.802 -1.159 . . . . 10.0 109.756 167.218 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.76 -24.8 52.57 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.892 1.277 . . . . 10.0 114.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.75 -45.56 20.85 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 129.385 3.074 . . . . 10.0 113.83 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -67.17 -38.51 85.57 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 120.834 -1.166 . . . . 10.0 111.244 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.94 -31.92 73.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.288 2.635 . . . . 10.0 111.809 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 -34.88 72.59 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.667 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.51 70.91 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 120.47 1.486 . . . . 10.0 110.399 169.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.23 -37.64 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.875 1.671 . . . . 10.0 110.23 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -69.11 -39.53 78.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.995 1.271 . . . . 10.0 114.074 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -53.94 -55.07 30.39 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.354 1.462 . . . . 10.0 110.348 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.59 -44.25 96.79 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 129.424 3.09 . . . . 10.0 111.145 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -43.54 73.26 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.771 1.628 . . . . 10.0 110.802 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.7 m -58.33 -48.02 81.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.992 0.917 . . . . 10.0 110.27 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.41 -60.42 3.37 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 116.779 -1.581 . . . . 10.0 108.83 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.7 mm? -61.63 -29.13 69.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 121.469 1.94 . . . . 10.0 114.636 -172.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.03 -50.17 53.72 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 121.022 1.737 . . . . 10.0 111.322 169.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -31.87 73.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.671 1.235 . . . . 10.0 113.728 175.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -75.32 -52.88 9.76 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 130.508 3.523 . . . . 10.0 109.983 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.1 mttt -62.03 -30.42 70.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.436 1.095 . . . . 10.0 110.613 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -36.64 62.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.118 1.367 . . . . 10.0 113.248 169.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.24 -45.42 79.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 120.374 1.443 . . . . 10.0 107.593 169.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.24 -52.57 64.78 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 117.493 -1.241 . . . . 10.0 112.696 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 121.386 1.903 . . . . 10.0 114.471 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.66 -45.79 16.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.603 1.161 . . . . 10.0 113.803 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.77 -53.14 56.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.64 2.776 . . . . 10.0 112.557 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.441 -0.88 0 C-N-CA 126.514 1.925 . . . . 10.0 107.788 -169.535 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 117.981 -1.009 . . . . 10.0 112.335 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD11 HG22 ' A' ' 102' ' ' VAL . 2.1 mm? -56.4 -50.44 71.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.575 1.534 . . . . 10.0 110.076 170.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.22 -36.45 83.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.911 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -48.07 74.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.008 2.123 . . . . 10.0 112.836 169.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.4 -35.74 34.83 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 119.476 1.034 . . . . 10.0 112.775 -171.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.36 -26.99 67.53 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.669 1.588 . . . . 10.0 110.756 170.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -79.24 -36.66 39.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.435 1.094 . . . . 10.0 111.416 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.17 -42.57 98.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.771 1.228 . . . . 10.0 111.232 173.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.454 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.91 -55.52 5.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 C-N-CA 126.04 1.736 . . . . 10.0 108.522 169.447 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.53 -39.55 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.906 1.282 . . . . 10.0 112.647 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.37 59.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 10.0 112.363 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.535 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.3 3.1 t-80 -75.41 -22.7 57.21 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.345 1.458 . . . . 10.0 111.119 171.266 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -74.46 -40.03 62.14 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.114 -1.616 . . . . 10.0 109.17 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -35.96 65.78 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.281 -0.887 . . . . 10.0 111.045 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.93 -24.52 66.84 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 167.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 87' ' ' LEU . 23.6 tp -74.69 -47.47 31.47 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.635 -1.174 . . . . 10.0 113.257 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.53 -39.71 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 121.429 1.922 . . . . 10.0 109.956 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.8 m -67.0 -41.45 86.69 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 116.215 -1.85 . . . . 10.0 109.411 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.25 78.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 122.296 2.316 . . . . 10.0 111.721 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.824 0.738 . . . . 10.0 110.191 169.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.575 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.68 -38.35 89.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.443 1.897 . . . . 10.0 113.016 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.8 mmpt? -69.02 -39.87 78.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.584 1.954 . . . . 10.0 109.472 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.99 -34.3 77.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 118.697 -0.668 . . . . 10.0 111.375 171.585 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 2.3 ttpt -66.16 -32.75 74.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 119.981 -1.699 . . . . 10.0 112.907 170.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.19 -23.74 64.88 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.232 0.924 . . . . 10.0 111.758 169.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.91 37.36 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.611 -1.306 . . . . 10.0 112.175 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.87 -37.66 84.85 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.421 -1.424 . . . . 10.0 110.082 169.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.7 tptt -57.21 -38.05 73.13 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.294 1.037 . . . . 10.0 110.415 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.81 -38.34 76.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.197 0.814 . . . . 10.0 113.197 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.319 4.1 p -77.21 -21.75 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 118.869 0.759 . . . . 10.0 112.534 169.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.44 -37.96 89.35 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.051 -1.655 . . . . 10.0 111.607 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -110.61 -24.73 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 117.44 2.385 . . . . 10.0 117.44 -166.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -151.36 72.17 8.37 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.251 0.621 . . . . 10.0 112.152 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 5.0 Cg_endo -59.0 50.51 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.173 1 C-N-CA 127.641 5.56 . . . . 10.0 119.036 -173.475 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.2 m-20 -73.6 149.79 41.85 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 119.96 -1.713 . . . . 10.0 108.769 167.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.0 m-20 -57.85 -23.25 51.99 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -174.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.67 -40.5 86.31 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 CA-C-O 116.153 -1.879 . . . . 10.0 114.35 169.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -70.15 -25.46 63.48 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 122.804 2.547 . . . . 10.0 110.039 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -75.92 -40.73 53.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.605 1.562 . . . . 10.0 111.218 170.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -69.04 -33.41 73.57 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.987 1.375 . . . . 10.0 114.411 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 m -65.47 -28.86 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.082 3.353 . . . . 10.0 108.978 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.3 -51.55 59.91 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 118.395 -1.322 . . . . 10.0 109.634 167.457 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.47 -26.43 63.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.668 1.187 . . . . 10.0 113.702 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -74.3 -45.5 47.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.99 2.516 . . . . 10.0 113.795 170.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.55 -39.09 81.22 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.86 -1.15 . . . . 10.0 111.457 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -62.62 -29.8 70.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.242 2.617 . . . . 10.0 111.679 169.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.46 67.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.078 0.951 . . . . 10.0 111.75 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.63 65.56 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 120.179 1.354 . . . . 10.0 109.596 168.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.1 t -51.91 -38.92 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 121.067 1.758 . . . . 10.0 109.891 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t -68.09 -38.12 81.98 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.31 1.414 . . . . 10.0 113.894 174.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 m -55.77 -55.01 37.38 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.213 1.405 . . . . 10.0 110.641 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -63.3 -42.4 99.04 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.249 3.02 . . . . 10.0 111.228 -175.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.81 -41.99 70.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.364 1.865 . . . . 10.0 110.801 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.7 m -58.2 -48.79 79.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.891 0.876 . . . . 10.0 110.128 171.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -53.9 -60.26 3.56 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-O 117.113 -1.422 . . . . 10.0 109.027 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.65 -27.18 69.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 121.609 2.004 . . . . 10.0 114.719 -170.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.03 -49.92 50.37 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 120.659 1.572 . . . . 10.0 110.866 168.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -32.07 73.38 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.23 1.015 . . . . 10.0 113.699 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.1 tp -76.0 -52.48 10.14 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 130.698 3.599 . . . . 10.0 110.307 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE2' HD12 ' A' ' 91' ' ' LEU . 43.3 mttm -61.35 -29.09 69.69 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.993 0.917 . . . . 10.0 110.502 173.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -37.66 60.43 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.351 1.461 . . . . 10.0 113.268 169.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.26 -44.09 79.39 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.632 1.56 . . . . 10.0 107.867 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.35 -52.64 64.77 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.314 -1.327 . . . . 10.0 112.529 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.48 -24.53 46.67 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 121.527 1.967 . . . . 10.0 114.351 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.72 -45.76 16.58 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.57 1.148 . . . . 10.0 113.544 168.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.43 -53.34 55.4 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.275 2.63 . . . . 10.0 112.645 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.414 HG22 HD11 ' A' ' 37' ' ' LEU . 41.3 t . . . . . 0 N--CA 1.441 -0.889 0 C-N-CA 126.913 2.085 . . . . 10.0 107.779 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.193 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -56.62 -49.87 73.68 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 120.712 1.596 . . . . 10.0 110.335 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.11 -30.94 71.09 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 120.573 -0.451 . . . . 10.0 111.522 -169.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.19 -45.66 55.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.154 2.181 . . . . 10.0 112.834 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 -35.83 33.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.831 1.196 . . . . 10.0 113.063 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.29 -27.54 67.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.235 1.414 . . . . 10.0 110.545 169.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.42 -38.04 56.17 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.779 1.232 . . . . 10.0 111.052 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.3 -42.96 99.53 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.753 1.221 . . . . 10.0 111.199 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.27 -57.35 2.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 125.784 1.633 . . . . 10.0 108.567 169.599 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -34.35 73.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.192 0.597 . . . . 10.0 112.317 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.74 42.07 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.66 -1.275 . . . . 10.0 112.193 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.529 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.309 2.3 t-80 -69.73 -21.69 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.004 1.322 . . . . 10.0 110.921 169.722 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.58 -43.27 39.51 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 120.137 -1.602 . . . . 10.0 109.876 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.41 -39.12 91.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.284 1.402 . . . . 10.0 111.045 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.85 -24.88 67.92 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.118 -0.989 . . . . 10.0 110.218 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 22.4 tp -77.72 -42.75 33.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.52 173.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.3 m -61.08 -41.73 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 120.713 1.597 . . . . 10.0 110.345 170.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -66.73 -38.75 87.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 116.197 -1.858 . . . . 10.0 109.305 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.07 78.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.352 1.887 . . . . 10.0 111.226 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -62.4 -47.96 81.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.856 0.753 . . . . 10.0 110.202 169.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -63.1 -29.35 70.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.119 2.167 . . . . 10.0 113.194 176.621 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.65 -40.31 34.53 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.956 2.102 . . . . 10.0 109.95 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 77' ' ' LEU 0.459 0.0 OUTLIER -68.51 -32.82 73.06 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.298 -0.858 . . . . 10.0 111.273 169.777 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -67.61 -33.59 75.3 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.217 -2.177 . . . . 10.0 113.64 169.773 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -24.1 61.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.354 1.062 . . . . 10.0 112.239 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.06 -30.64 39.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.457 -1.402 . . . . 10.0 111.415 168.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -67.5 -38.19 83.95 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.265 -1.522 . . . . 10.0 109.507 169.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.1 tptt -56.8 -36.63 70.12 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 123.611 0.764 . . . . 10.0 110.44 169.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.35 -40.02 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.316 3.5 p -75.63 -21.68 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 121.479 -0.763 . . . . 10.0 112.515 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.67 -39.24 93.32 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.009 -1.682 . . . . 10.0 111.634 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -108.71 -24.66 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 117.398 2.37 . . . . 10.0 117.398 -166.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -151.35 72.1 8.37 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.36 0.664 . . . . 10.0 112.206 169.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.276 4.5 Cg_endo -59.43 54.22 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.049 1 C-N-CA 127.421 5.414 . . . . 10.0 119.027 -173.169 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -75.33 151.73 38.22 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 119.866 -1.771 . . . . 10.0 108.62 167.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -52.04 -33.07 37.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.943 1.297 . . . . 10.0 114.333 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.93 -38.79 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 115.894 -2.003 . . . . 10.0 113.997 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.09 -24.19 64.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 122.662 2.483 . . . . 10.0 109.955 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 13.0 mttt -79.18 -38.1 36.7 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.156 1.383 . . . . 10.0 111.259 171.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.3 m -71.22 -35.44 71.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.9 1.333 . . . . 10.0 114.196 172.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m -62.76 -28.9 70.29 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 130.032 3.333 . . . . 10.0 108.688 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD11 HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -64.55 -53.41 48.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 118.723 -1.191 . . . . 10.0 110.557 167.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.01 -27.22 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.075 1.35 . . . . 10.0 113.122 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.86 -45.46 61.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.8 2.44 . . . . 10.0 113.417 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.7 -40.7 79.91 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.571 1.177 . . . . 10.0 111.842 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -64.23 -28.62 69.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.304 2.641 . . . . 10.0 111.792 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.86 64.71 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 10.0 111.447 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.12 74.75 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 120.012 1.278 . . . . 10.0 109.13 168.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG21 HD12 ' A' ' 58' ' ' LEU . 43.3 t -51.21 -39.62 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.887 1.676 . . . . 10.0 110.661 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -68.45 -38.23 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.995 1.271 . . . . 10.0 114.011 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -55.08 -55.1 34.78 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.324 1.45 . . . . 10.0 110.489 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.66 -43.63 98.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.448 3.099 . . . . 10.0 111.247 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.22 -43.11 71.32 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.832 1.653 . . . . 10.0 110.832 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.6 m -57.79 -49.46 76.54 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.735 0.814 . . . . 10.0 110.091 172.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -53.17 -60.45 3.28 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 116.566 -1.683 . . . . 10.0 108.95 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.99 -30.06 71.3 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 121.397 1.908 . . . . 10.0 114.721 -171.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.29 -50.48 59.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 120.955 1.707 . . . . 10.0 111.149 169.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.48 80.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 117.957 0.878 . . . . 10.0 113.209 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.0 tp -70.74 -52.31 21.65 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.529 3.531 . . . . 10.0 110.154 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' LEU . 71.6 mttt -61.28 -30.26 70.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.405 1.082 . . . . 10.0 110.601 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -35.09 61.65 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.35 1.46 . . . . 10.0 113.782 169.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.77 -43.49 90.41 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 120.323 1.419 . . . . 10.0 107.463 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.75 -51.9 68.01 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 117.366 -1.302 . . . . 10.0 112.733 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.08 58.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 121.368 1.895 . . . . 10.0 114.165 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.62 -43.99 19.6 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.414 1.086 . . . . 10.0 113.7 169.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -53.2 59.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.002 2.521 . . . . 10.0 112.752 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.441 -0.878 0 C-N-CA 126.937 2.095 . . . . 10.0 108.137 -169.479 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.24 -50.87 72.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.69 1.586 . . . . 10.0 109.801 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.54 -37.86 89.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.228 -0.589 . . . . 10.0 110.974 -171.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.46 -47.35 82.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 128.335 2.654 . . . . 10.0 114.323 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -36.14 31.94 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 124.14 0.976 . . . . 10.0 113.132 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -28.34 68.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.461 1.504 . . . . 10.0 110.132 169.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.82 -39.41 56.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.658 1.183 . . . . 10.0 111.055 168.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -39.47 90.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.671 0.789 . . . . 10.0 111.701 173.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.58 -58.54 2.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 C-N-CA 125.615 1.566 . . . . 10.0 108.309 169.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -37.92 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.149 0.58 . . . . 10.0 111.921 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.53 -37.39 60.09 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.079 -1.013 . . . . 10.0 112.45 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.305 3.0 t-80 -73.42 -19.75 60.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.508 1.123 . . . . 10.0 110.587 169.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -77.58 -42.83 33.75 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 120.274 -1.516 . . . . 10.0 109.856 168.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.74 -36.87 81.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 120.476 1.489 . . . . 10.0 111.098 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -66.02 -23.45 66.56 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.327 -0.858 . . . . 10.0 109.927 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.7 tp -78.43 -44.58 24.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.328 0.967 . . . . 10.0 113.257 173.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.1 m -60.55 -41.78 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 CA-C-N 120.525 1.511 . . . . 10.0 110.38 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -66.62 -38.35 86.77 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 115.832 -2.033 . . . . 10.0 109.18 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.46 77.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 122.352 2.342 . . . . 10.0 111.617 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 mmt180 -63.18 -43.78 97.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.102 0.864 . . . . 10.0 110.804 169.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.593 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.9 -36.91 83.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.108 2.163 . . . . 10.0 112.795 -179.614 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -70.43 -39.97 74.08 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.994 2.117 . . . . 10.0 109.534 172.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.3 OUTLIER -65.2 -36.9 85.62 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.511 0.596 . . . . 10.0 111.243 172.315 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -65.7 -33.32 75.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 119.952 -1.718 . . . . 10.0 112.865 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.13 -23.33 65.8 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 119.339 0.972 . . . . 10.0 112.282 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.09 -33.52 38.72 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.759 -1.213 . . . . 10.0 112.016 169.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.9 -39.09 90.29 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.465 -1.397 . . . . 10.0 110.135 169.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.2 tptt -60.51 -23.36 64.48 Favored 'General case' 0 C--O 1.22 -0.5 0 C-N-CA 125.025 1.33 . . . . 10.0 112.226 170.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.81 -45.64 16.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.803 1.408 . . . . 10.0 114.803 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.343 3.6 p -65.44 -19.4 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 121.236 -0.915 . . . . 10.0 111.51 169.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.47 -49.58 70.86 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.47 -1.394 . . . . 10.0 111.289 167.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.7 m -85.83 -38.72 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.254 1.422 . . . . 10.0 113.958 -169.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -152.15 79.46 6.22 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.354 0.662 . . . . 10.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.1 Cg_endo -60.19 54.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.545 1.036 1 C-N-CA 127.118 5.212 . . . . 10.0 117.382 -177.281 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.9 m-20 -73.64 147.38 43.79 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 120.36 -1.463 . . . . 10.0 108.456 167.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -56.93 -27.09 60.58 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.03 -41.03 91.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 CA-C-O 116.321 -1.799 . . . . 10.0 114.801 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.86 -24.33 64.33 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.601 2.455 . . . . 10.0 109.606 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -78.23 -42.59 30.81 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.395 1.478 . . . . 10.0 111.196 170.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -65.45 -33.31 75.64 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.392 -1.442 . . . . 10.0 114.503 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.7 m -65.25 -29.33 70.1 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 129.687 3.195 . . . . 10.0 108.945 169.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.93 -51.45 58.46 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 118.601 -1.24 . . . . 10.0 109.762 167.37 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.31 -26.65 63.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.602 1.161 . . . . 10.0 113.658 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.9 -46.05 46.93 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.899 2.48 . . . . 10.0 113.504 170.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.87 -37.95 82.46 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.931 -1.106 . . . . 10.0 111.462 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -63.35 -32.51 73.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.434 2.694 . . . . 10.0 111.978 169.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.15 69.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.146 0.978 . . . . 10.0 111.754 169.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.07 63.44 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 119.927 1.24 . . . . 10.0 109.81 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -51.38 -38.91 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 121.201 1.819 . . . . 10.0 110.285 173.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -38.22 80.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.964 1.257 . . . . 10.0 114.036 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -55.77 -55.58 30.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.442 1.497 . . . . 10.0 110.499 169.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.88 -43.32 99.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 129.526 3.13 . . . . 10.0 111.119 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.19 -43.8 70.01 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.893 1.677 . . . . 10.0 110.943 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.4 m -57.37 -48.64 78.51 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.649 0.78 . . . . 10.0 110.166 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -54.0 -60.42 3.35 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.197 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.24 -29.16 70.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 121.661 2.028 . . . . 10.0 114.614 -171.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.19 51.17 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 120.715 1.598 . . . . 10.0 111.169 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -33.17 74.06 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.621 1.211 . . . . 10.0 113.601 175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.39 -52.58 13.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 129.979 3.312 . . . . 10.0 109.995 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.4 mttt -61.51 -30.0 70.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.272 1.029 . . . . 10.0 110.545 174.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.79 59.1 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.578 1.551 . . . . 10.0 114.044 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -60.5 -44.63 95.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.491 1.496 . . . . 10.0 107.116 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.34 -50.89 71.5 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 117.304 -1.331 . . . . 10.0 112.19 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.98 54.13 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.396 1.907 . . . . 10.0 114.439 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.77 -45.84 16.36 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.686 1.13 . . . . 10.0 113.373 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.7 -53.64 52.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.305 2.642 . . . . 10.0 112.546 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.445 -0.691 0 C-N-CA 126.856 2.062 . . . . 10.0 108.027 -169.841 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 118.018 -0.991 . . . . 10.0 112.401 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.46 -49.56 74.29 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.548 1.522 . . . . 10.0 110.598 170.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -67.56 -26.87 66.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.875 -169.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -76.91 -46.62 23.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.644 2.378 . . . . 10.0 112.354 169.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 -36.44 32.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.635 1.107 . . . . 10.0 113.426 -172.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -66.66 -27.66 67.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.161 1.384 . . . . 10.0 110.42 170.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.34 -38.41 55.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.762 1.225 . . . . 10.0 111.296 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.98 -44.26 97.62 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.675 1.19 . . . . 10.0 111.095 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.435 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -48.71 -56.68 2.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 125.908 1.683 . . . . 10.0 108.807 169.652 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -36.32 73.54 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.932 0.493 . . . . 10.0 112.127 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.78 61.39 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.83 -1.169 . . . . 10.0 112.573 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.328 1.8 t-80 -73.34 -19.28 61.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.412 1.885 . . . . 10.0 111.154 169.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -80.07 -41.45 25.59 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 120.344 -1.472 . . . . 10.0 109.259 168.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.5 -38.03 86.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.592 1.542 . . . . 10.0 111.312 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -66.27 -21.57 66.28 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.122 -0.986 . . . . 10.0 110.16 168.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -80.1 -43.47 21.68 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 117.588 -1.196 . . . . 10.0 113.278 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.1 m -59.76 -41.25 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 CA-C-N 120.555 1.525 . . . . 10.0 110.131 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.6 m -70.73 -34.91 72.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 115.957 -1.973 . . . . 10.0 110.273 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.33 77.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.572 1.987 . . . . 10.0 110.995 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -63.85 -48.66 75.86 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.159 0.891 . . . . 10.0 110.273 169.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -29.95 70.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.663 1.985 . . . . 10.0 112.333 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -42.16 25.38 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.223 2.209 . . . . 10.0 110.589 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 77' ' ' LEU 0.439 0.0 OUTLIER -65.86 -32.65 74.29 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 118.655 -0.688 . . . . 10.0 110.791 169.891 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -69.73 -34.35 73.72 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 119.684 -1.885 . . . . 10.0 113.445 169.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.83 -24.5 65.28 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.726 1.148 . . . . 10.0 111.71 169.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.31 35.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.464 -1.397 . . . . 10.0 112.095 168.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.6 -37.76 85.56 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.107 -1.62 . . . . 10.0 109.704 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.515 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.7 tptt -57.26 -37.47 72.39 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 124.295 1.038 . . . . 10.0 110.341 169.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.49 -39.96 77.31 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.199 0.815 . . . . 10.0 113.199 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.314 3.6 p -75.57 -22.62 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.561 -0.712 . . . . 10.0 112.562 170.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.26 -37.92 89.2 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 119.966 -1.709 . . . . 10.0 111.812 168.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -109.86 -25.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 117.364 2.357 . . . . 10.0 117.364 -166.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -151.53 72.53 8.24 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.406 0.682 . . . . 10.0 112.003 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 4.3 Cg_endo -58.99 53.67 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.1 1 C-N-CA 127.643 5.562 . . . . 10.0 119.193 -173.092 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 75.3 m-20 -74.3 148.66 41.2 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 119.812 -1.805 . . . . 10.0 109.114 167.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 82.0 m-20 -57.49 -24.47 56.05 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.781 0.8 . . . . 10.0 113.058 -174.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.79 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-O 116.158 -1.877 . . . . 10.0 114.113 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -67.79 -26.49 66.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 122.851 2.568 . . . . 10.0 110.034 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -78.11 -30.62 49.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.877 1.671 . . . . 10.0 112.392 171.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 m -79.99 -36.13 36.43 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 123.185 1.469 . . . . 10.0 113.929 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.6 m -60.82 -29.15 69.3 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 130.122 3.369 . . . . 10.0 108.03 168.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -62.94 -54.28 40.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.117 -1.033 . . . . 10.0 111.322 168.22 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.66 -26.44 65.53 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.633 1.573 . . . . 10.0 112.6 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -72.56 -45.76 57.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.914 2.486 . . . . 10.0 113.312 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.4 -41.14 80.91 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.725 1.25 . . . . 10.0 112.064 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -63.88 -29.63 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 128.314 2.646 . . . . 10.0 111.826 169.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.97 67.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.089 0.956 . . . . 10.0 111.442 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.76 74.54 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 119.875 1.216 . . . . 10.0 109.397 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG21 HD12 ' A' ' 58' ' ' LEU . 43.9 t -51.46 -39.97 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 121.387 1.903 . . . . 10.0 110.783 172.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.5 t -67.11 -38.0 84.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.905 1.229 . . . . 10.0 113.774 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.1 m -56.27 -55.43 33.46 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.269 1.427 . . . . 10.0 110.786 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 129.168 2.987 . . . . 10.0 110.86 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.12 -44.1 69.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.058 1.743 . . . . 10.0 111.061 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.66 -48.63 78.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.834 0.853 . . . . 10.0 110.154 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -53.76 -60.31 3.48 Favored 'General case' 0 CA--C 1.493 -1.242 0 CA-C-O 116.911 -1.518 . . . . 10.0 108.967 172.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.8 mm? -63.11 -27.7 69.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 121.763 2.074 . . . . 10.0 114.847 -171.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.6 -50.73 46.93 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 120.778 1.626 . . . . 10.0 110.979 168.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -33.22 74.31 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.194 0.997 . . . . 10.0 113.587 176.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.71 -53.26 10.77 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 130.699 3.6 . . . . 10.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.546 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.1 mttm -61.14 -29.85 70.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.876 0.87 . . . . 10.0 110.527 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -37.38 62.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.087 1.355 . . . . 10.0 113.431 169.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -55.83 -43.66 77.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 120.481 1.491 . . . . 10.0 107.897 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.94 -52.0 67.64 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 117.535 -1.221 . . . . 10.0 112.921 172.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.49 53.65 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 121.162 1.801 . . . . 10.0 114.38 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.68 -44.93 17.99 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.689 1.196 . . . . 10.0 113.529 169.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.16 -53.09 60.41 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.358 2.663 . . . . 10.0 112.802 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.443 -0.78 0 C-N-CA 126.637 1.975 . . . . 10.0 107.855 -169.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 117.9 -1.047 . . . . 10.0 112.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.49 -50.74 70.89 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.848 1.658 . . . . 10.0 110.158 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -65.98 -35.09 79.64 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.451 0.469 . . . . 10.0 111.132 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.47 -47.74 69.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.434 2.293 . . . . 10.0 112.742 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.29 -36.18 34.8 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.751 1.159 . . . . 10.0 112.638 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -65.85 -27.27 68.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.742 1.617 . . . . 10.0 111.031 170.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.13 -37.57 38.23 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.084 1.354 . . . . 10.0 111.629 168.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.39 -42.89 96.84 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.63 1.172 . . . . 10.0 111.034 174.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.34 -60.17 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 125.884 1.674 . . . . 10.0 108.808 169.735 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -40.03 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.771 0.429 . . . . 10.0 111.675 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.13 72.53 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.3 -0.875 . . . . 10.0 112.275 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.393 3.0 t60 -72.37 -19.24 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.322 1.849 . . . . 10.0 112.034 170.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.42 -40.97 28.69 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.513 1.506 . . . . 10.0 109.806 168.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -68.17 -37.74 81.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.305 1.412 . . . . 10.0 111.517 174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -64.51 -26.72 68.55 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.257 -0.902 . . . . 10.0 109.572 168.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.703 HD13 ' HB3' ' A' ' 87' ' ' LEU . 18.1 tp -73.31 -49.84 25.38 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 117.617 -1.182 . . . . 10.0 112.173 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -58.53 -38.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 121.166 1.803 . . . . 10.0 110.626 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -66.32 -40.46 89.94 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 116.134 -1.889 . . . . 10.0 109.432 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.67 75.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 122.313 2.324 . . . . 10.0 111.95 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -43.85 97.44 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.277 0.944 . . . . 10.0 110.281 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.58 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.03 -37.65 86.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.605 1.962 . . . . 10.0 113.04 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -69.16 -39.43 78.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.714 2.005 . . . . 10.0 109.605 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.369 0.3 OUTLIER -65.4 -35.14 80.05 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 118.778 -0.629 . . . . 10.0 111.487 171.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 1.5 ttpt -65.88 -33.2 75.28 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.012 -1.68 . . . . 10.0 112.933 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.3 -23.24 65.63 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.209 0.913 . . . . 10.0 111.955 169.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.2 -32.8 38.58 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.493 -1.379 . . . . 10.0 112.012 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.01 -37.89 85.0 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.391 -1.443 . . . . 10.0 110.32 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.9 tptt -56.9 -38.41 72.76 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.3 1.04 . . . . 10.0 110.436 169.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.6 -37.15 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -78.16 -21.79 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 118.868 0.758 . . . . 10.0 112.494 169.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.53 -36.96 85.92 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.001 -1.687 . . . . 10.0 111.706 168.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.5 p -112.4 -24.07 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 117.401 2.371 . . . . 10.0 117.401 -166.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.62 70.8 8.91 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.509 0.724 . . . . 10.0 112.392 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.279 3.9 Cg_endo -59.14 48.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 127.634 5.556 . . . . 10.0 119.25 -172.984 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -72.98 150.04 42.81 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 119.762 -1.837 . . . . 10.0 108.692 167.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.89 -22.49 48.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.654 0.74 . . . . 10.0 112.992 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.97 -40.44 85.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 116.103 -1.903 . . . . 10.0 114.334 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -70.21 -25.12 63.26 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 122.836 2.562 . . . . 10.0 110.117 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.5 mttt -75.93 -40.75 53.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.782 1.633 . . . . 10.0 111.272 169.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -69.33 -33.02 72.5 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.999 1.381 . . . . 10.0 114.373 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 m -65.39 -28.57 69.35 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 129.986 3.314 . . . . 10.0 109.122 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -65.07 -51.39 61.71 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 118.338 -1.345 . . . . 10.0 109.76 167.456 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -58.99 -27.27 65.25 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.828 1.251 . . . . 10.0 113.396 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.86 -45.86 56.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.841 2.456 . . . . 10.0 113.548 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.55 -38.3 80.67 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.903 -1.123 . . . . 10.0 111.67 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -62.95 -31.83 73.0 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.188 2.595 . . . . 10.0 111.722 169.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.25 -31.9 68.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.105 0.962 . . . . 10.0 111.884 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.29 63.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 120.116 1.325 . . . . 10.0 109.703 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.59 -38.84 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 121.29 1.859 . . . . 10.0 110.394 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.96 -38.4 82.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.975 1.261 . . . . 10.0 114.023 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 m -55.85 -54.99 37.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.347 1.459 . . . . 10.0 110.652 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.49 -42.42 99.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 129.151 2.98 . . . . 10.0 110.787 -175.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.51 -44.73 70.46 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.999 1.719 . . . . 10.0 111.044 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -57.74 -49.54 76.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.101 0.96 . . . . 10.0 110.22 172.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.6 tppt? -51.62 -60.15 3.47 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 117.5 -1.238 . . . . 10.0 108.816 171.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 3.3 mm? -64.25 -31.26 72.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 116.547 -1.692 . . . . 10.0 115.257 -169.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.96 -46.35 82.06 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 121.285 1.857 . . . . 10.0 111.199 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -33.57 76.27 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.488 1.144 . . . . 10.0 113.871 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.3 tp -71.3 -52.58 18.05 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 131.216 3.806 . . . . 10.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.489 ' HE2' ' HB3' ' A' ' 91' ' ' LEU . 52.4 mtmt -61.91 -29.42 70.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.058 0.943 . . . . 10.0 110.474 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -38.07 61.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 117.293 -1.337 . . . . 10.0 113.202 168.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -55.19 -44.3 75.15 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 120.664 1.575 . . . . 10.0 108.008 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.34 -52.37 65.91 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 117.358 -1.306 . . . . 10.0 112.785 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.55 -25.01 50.94 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.328 1.877 . . . . 10.0 114.388 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.68 -45.16 17.61 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.465 1.106 . . . . 10.0 113.719 169.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.23 56.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.968 2.507 . . . . 10.0 112.517 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 N--CA 1.442 -0.859 0 C-N-CA 126.791 2.036 . . . . 10.0 107.948 -169.474 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 117.806 -1.092 . . . . 10.0 112.154 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -51.1 70.86 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 121.08 1.763 . . . . 10.0 110.113 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -65.12 -34.34 78.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 120.632 -0.427 . . . . 10.0 111.13 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.22 -49.35 61.3 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.601 2.36 . . . . 10.0 112.939 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.24 -36.29 34.87 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 119.591 1.087 . . . . 10.0 112.899 -171.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -26.57 67.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.267 1.427 . . . . 10.0 111.0 170.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.1 -38.29 31.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.842 1.257 . . . . 10.0 111.291 169.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.72 -43.33 90.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.89 1.276 . . . . 10.0 111.185 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -48.7 -56.93 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 C-N-CA 125.946 1.698 . . . . 10.0 108.907 169.505 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -41.35 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.867 0.867 . . . . 10.0 112.188 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.73 69.8 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.224 -0.923 . . . . 10.0 112.189 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.373 3.1 t60 -72.55 -19.48 61.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.02 1.728 . . . . 10.0 111.965 169.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.14 -41.36 28.72 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.39 -1.444 . . . . 10.0 109.521 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -39.5 90.98 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.954 1.252 . . . . 10.0 111.143 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.22 -23.97 67.5 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.911 -1.118 . . . . 10.0 110.2 168.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.4 tp -78.0 -41.78 34.74 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.657 -1.163 . . . . 10.0 112.919 173.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.2 m -60.77 -41.83 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 120.522 1.51 . . . . 10.0 110.327 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.9 m -66.37 -39.29 89.03 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 116.665 -1.636 . . . . 10.0 109.535 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.32 79.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 121.063 1.756 . . . . 10.0 111.105 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -62.03 -48.18 81.4 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.851 0.75 . . . . 10.0 110.253 169.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -62.38 -29.48 70.5 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.2 2.2 . . . . 10.0 113.166 176.476 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.27 -41.41 34.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 126.993 2.117 . . . . 10.0 110.194 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 77' ' ' LEU 0.449 0.0 OUTLIER -67.95 -32.84 73.56 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.323 -0.846 . . . . 10.0 111.561 169.958 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -33.57 75.4 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 119.639 -1.913 . . . . 10.0 113.55 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.03 -24.4 62.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.405 1.082 . . . . 10.0 112.133 170.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.48 -30.87 37.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.457 -1.402 . . . . 10.0 111.84 168.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.09 -37.59 84.21 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.229 -1.544 . . . . 10.0 109.524 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.2 tptt -56.76 -36.83 70.25 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 123.724 0.81 . . . . 10.0 110.425 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.95 -39.46 76.04 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 3.2 p -76.24 -21.8 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.741 0.701 . . . . 10.0 112.537 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.54 -37.94 89.29 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 119.928 -1.732 . . . . 10.0 111.73 168.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -110.25 -24.74 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 117.492 2.405 . . . . 10.0 117.492 -166.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -151.33 72.39 8.39 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.429 0.692 . . . . 10.0 112.007 169.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.2 Cg_endo -59.78 53.74 0.07 OUTLIER 'Trans proline' 0 CA--C 1.544 1.005 1 C-N-CA 127.495 5.463 . . . . 10.0 118.806 -173.354 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.24 151.84 38.37 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 119.919 -1.738 . . . . 10.0 108.65 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -51.95 -33.0 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -177.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.6 -42.65 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 CA-C-O 116.336 -1.792 . . . . 10.0 113.575 171.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.34 -23.53 66.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.856 2.571 . . . . 10.0 110.349 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.7 mttt -80.72 -29.91 36.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.504 1.521 . . . . 10.0 112.568 171.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -80.09 -38.4 31.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.799 1.64 . . . . 10.0 113.826 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -58.84 -29.3 66.82 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 130.4 3.48 . . . . 10.0 108.026 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.33 -54.75 32.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.805 -1.158 . . . . 10.0 111.198 167.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -58.56 -25.54 62.63 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.723 1.609 . . . . 10.0 112.965 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.93 -45.49 50.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.016 2.526 . . . . 10.0 113.603 169.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.1 -40.75 82.55 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.964 1.364 . . . . 10.0 111.847 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -64.06 -29.01 70.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.219 2.608 . . . . 10.0 111.717 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.41 66.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.13 0.972 . . . . 10.0 111.324 169.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.13 72.4 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 119.921 1.237 . . . . 10.0 109.279 168.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 58' ' ' LEU . 42.1 t -51.84 -39.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 121.32 1.873 . . . . 10.0 110.778 172.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 t -67.39 -38.03 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.024 1.284 . . . . 10.0 113.817 174.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.2 m -55.73 -54.91 38.5 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.349 1.46 . . . . 10.0 110.449 169.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.25 -43.12 98.92 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 129.094 2.958 . . . . 10.0 110.939 -175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.82 -44.55 69.76 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.089 1.756 . . . . 10.0 111.042 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.4 m -58.09 -48.43 80.2 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.701 0.8 . . . . 10.0 110.245 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -53.65 -60.17 3.66 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 116.767 -1.587 . . . . 10.0 109.131 172.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.8 mm? -62.62 -29.08 70.35 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 121.426 1.921 . . . . 10.0 115.049 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.53 -49.91 57.75 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-N 120.884 1.675 . . . . 10.0 110.922 169.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.39 73.9 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.53 1.165 . . . . 10.0 113.836 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.01 -52.17 15.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 130.114 3.366 . . . . 10.0 109.5 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.597 ' HE3' HD12 ' A' ' 91' ' ' LEU . 65.8 mttt -61.79 -30.16 70.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.407 1.083 . . . . 10.0 110.641 174.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.25 55.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.898 1.679 . . . . 10.0 114.26 169.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.45 -44.67 96.71 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 106.707 -1.59 . . . . 10.0 106.707 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.96 -51.35 68.01 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.385 -1.293 . . . . 10.0 112.281 171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.71 56.25 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 121.385 1.902 . . . . 10.0 114.832 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.75 -46.21 15.82 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.605 1.093 . . . . 10.0 113.625 168.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.4 -53.61 48.79 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 128.309 2.644 . . . . 10.0 112.538 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.442 -0.838 0 C-N-CA 126.854 2.062 . . . . 10.0 107.81 -169.567 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.492 0.182 . . . . 10.0 111.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -128.7 20.38 6.06 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.212 1.405 . . . . 10.0 113.452 -171.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -146.31 173.47 12.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.247 1.819 . . . . 10.0 111.525 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -142.26 165.08 28.42 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.455 1.502 . . . . 10.0 111.802 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -141.37 163.83 31.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.056 1.343 . . . . 10.0 111.924 -172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -135.12 22.8 3.51 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.11 1.364 . . . . 10.0 112.55 -170.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -61.99 158.41 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.14 1.376 . . . . 10.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.93 -179.61 45.62 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.348 1.452 . . . . 10.0 112.519 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.56 147.33 54.49 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.151 1.38 . . . . 10.0 111.929 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.58 166.01 30.36 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.433 2.756 . . . . 10.0 112.514 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.4 154.61 78.35 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.178 0.991 . . . . 10.0 111.616 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.56 170.72 16.85 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.428 2.752 . . . . 10.0 112.748 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -124.76 142.73 41.62 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.686 1.595 . . . . 10.0 109.878 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.96 78.68 1.76 Allowed 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.109 3.206 . . . . 10.0 113.429 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -130.16 24.34 5.23 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.445 2.298 . . . . 10.0 111.366 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.7 mt -54.76 132.81 46.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.651 1.58 . . . . 10.0 112.447 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.61 -167.05 39.75 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.281 1.419 . . . . 10.0 112.223 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.27 123.93 18.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.082 0.953 . . . . 10.0 111.329 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -139.1 5.35 2.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.626 1.17 . . . . 10.0 113.631 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -140.17 155.27 47.01 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.997 1.719 . . . . 10.0 110.955 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.9 p -142.25 173.73 11.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.139 1.375 . . . . 10.0 112.055 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.47 29.14 5.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.629 1.572 . . . . 10.0 111.097 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.43 0.1 13.29 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.11 1.764 . . . . 10.0 114.838 -173.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.3 125.32 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.327 1.451 . . . . 10.0 111.215 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -148.84 154.71 39.88 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.962 1.305 . . . . 10.0 111.981 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -152.46 156.56 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.201 1.8 . . . . 10.0 110.322 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -147.86 145.34 28.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.389 1.076 . . . . 10.0 112.038 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.56 143.36 4.4 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.412 1.958 . . . . 10.0 111.488 173.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -156.41 154.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.855 1.262 . . . . 10.0 111.398 -175.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.99 152.36 87.61 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.314 1.045 . . . . 10.0 112.627 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.03 8.38 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.012 3.141 . . . . 10.0 114.73 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -50.86 -33.77 25.24 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -63.06 -32.02 73.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.319 1.048 . . . . 10.0 113.162 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.385 24.6 ttt -95.37 -16.84 22.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 170.031 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -62.16 -37.74 86.37 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.469 1.486 . . . . 10.0 107.669 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -63.07 -39.12 93.77 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.142 1.777 . . . . 10.0 112.316 169.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.0 mm? -56.18 -49.95 72.58 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.556 1.525 . . . . 10.0 110.224 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.22 -34.73 78.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 120.652 -0.419 . . . . 10.0 110.94 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.29 -49.1 65.6 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.059 2.143 . . . . 10.0 112.806 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.5 -34.8 35.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.266 0.939 . . . . 10.0 113.024 -170.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -67.4 -29.24 68.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.27 1.428 . . . . 10.0 110.734 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.48 -37.44 60.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.165 0.986 . . . . 10.0 110.84 168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.43 -43.95 97.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.579 1.152 . . . . 10.0 111.575 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.1 -57.92 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 C-N-CA 125.86 1.664 . . . . 10.0 108.192 169.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.101 0.96 . . . . 10.0 111.885 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 62.99 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.248 -0.908 . . . . 10.0 112.024 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.506 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.327 1.9 t-80 -69.42 -19.73 63.79 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.181 1.393 . . . . 10.0 111.485 169.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.93 -43.24 25.11 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.04 -1.662 . . . . 10.0 110.162 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -66.15 -36.32 82.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.584 1.538 . . . . 10.0 111.166 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -66.63 -23.83 66.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.09 -1.006 . . . . 10.0 110.263 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.7 tp -79.15 -42.57 25.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.325 173.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.6 m -60.66 -41.38 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 120.606 1.548 . . . . 10.0 109.824 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 m -67.39 -40.08 85.64 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 115.936 -1.983 . . . . 10.0 109.067 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.87 75.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.24 2.291 . . . . 10.0 111.466 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mmm180 -61.89 -46.42 89.45 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.804 0.729 . . . . 10.0 110.429 169.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.568 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.99 -32.72 74.37 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.075 2.15 . . . . 10.0 113.237 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.568 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.74 -39.7 64.07 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 125.794 1.638 . . . . 10.0 109.418 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 77' ' ' LEU 0.462 0.0 OUTLIER -67.86 -35.31 78.32 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.552 -0.737 . . . . 10.0 111.426 171.936 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -32.49 74.06 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.591 -1.943 . . . . 10.0 113.408 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.03 -25.21 61.72 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.772 1.229 . . . . 10.0 112.434 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.05 -30.73 39.46 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.686 -1.259 . . . . 10.0 111.508 169.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.83 -39.65 87.71 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.199 -1.563 . . . . 10.0 109.25 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.1 tptt -59.9 -22.05 61.88 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 124.439 1.096 . . . . 10.0 111.968 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.84 -45.91 16.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 173.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.0 p -65.25 -19.58 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 120.925 -1.11 . . . . 10.0 111.395 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.02 -48.01 78.02 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.306 -1.496 . . . . 10.0 111.356 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.0 m -88.66 -36.96 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.447 1.499 . . . . 10.0 113.907 -169.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.78 76.47 7.37 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.636 0.774 . . . . 10.0 111.888 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 7.6 Cg_endo -62.09 54.66 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.99 1 C-N-CA 126.851 5.034 . . . . 10.0 117.723 -175.671 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.32 150.35 38.49 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 120.209 -1.557 . . . . 10.0 108.436 167.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.4 t70 -56.49 -24.94 49.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.791 0.805 . . . . 10.0 113.024 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.62 -41.67 88.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 116.189 -1.862 . . . . 10.0 114.803 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -69.44 -24.9 63.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.805 2.548 . . . . 10.0 109.672 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.8 mttt -77.86 -37.59 47.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.186 1.394 . . . . 10.0 111.395 170.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.2 m -70.98 -35.5 72.13 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.024 1.393 . . . . 10.0 114.103 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.0 m -62.7 -28.7 70.13 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 130.02 3.328 . . . . 10.0 108.626 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.644 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -65.25 -53.3 46.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.102 -1.039 . . . . 10.0 110.614 167.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.81 -26.09 63.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.999 1.32 . . . . 10.0 113.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -72.58 -45.72 57.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.867 2.467 . . . . 10.0 113.414 169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.2 -41.43 81.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.904 1.335 . . . . 10.0 111.733 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.6 -28.02 69.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 128.466 2.706 . . . . 10.0 111.728 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.22 65.48 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.3 1.04 . . . . 10.0 111.494 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.78 75.82 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 119.912 1.233 . . . . 10.0 109.228 168.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.489 HG21 HD12 ' A' ' 58' ' ' LEU . 42.3 t -51.47 -39.8 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 120.901 1.682 . . . . 10.0 110.712 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.8 t -67.97 -38.17 82.41 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.988 1.267 . . . . 10.0 113.847 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.1 m -55.2 -55.2 33.97 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.355 1.462 . . . . 10.0 110.545 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.56 -43.85 97.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 129.262 3.025 . . . . 10.0 111.212 -175.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.38 -43.22 73.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.01 1.724 . . . . 10.0 110.809 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.1 m -57.76 -49.45 76.56 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.756 0.822 . . . . 10.0 110.244 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.01 -60.21 3.57 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-O 116.871 -1.537 . . . . 10.0 109.174 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.82 -27.64 69.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 120.781 1.628 . . . . 10.0 114.421 -171.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.37 -50.2 51.81 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.788 1.631 . . . . 10.0 110.715 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -31.74 72.96 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -76.05 -52.64 9.76 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.225 3.41 . . . . 10.0 109.859 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HE2' HD12 ' A' ' 91' ' ' LEU . 45.9 mttm -61.89 -29.14 70.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.095 0.958 . . . . 10.0 110.839 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -36.77 61.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 117.162 -1.399 . . . . 10.0 113.07 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -56.33 -45.03 80.54 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.592 1.542 . . . . 10.0 107.76 168.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -58.93 -51.66 69.09 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 117.273 -1.346 . . . . 10.0 112.543 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.58 52.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.473 1.942 . . . . 10.0 114.31 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.75 -45.93 16.25 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.454 1.101 . . . . 10.0 113.649 168.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.0 -53.48 52.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.231 2.612 . . . . 10.0 112.629 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.408 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t -66.38 -43.92 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.919 2.088 . . . . 10.0 107.786 -169.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 2.74 0.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.8 2.04 . . . . 10.0 115.237 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -123.15 -14.59 7.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.626 2.37 . . . . 10.0 112.587 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.45 -22.09 66.86 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.815 -1.178 . . . . 10.0 110.156 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -35.65 77.37 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 130.417 3.487 . . . . 10.0 113.595 172.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.82 2.048 . . . . 10.0 112.618 -169.584 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 110.644 -0.132 . . . . 10.0 110.644 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -146.63 167.38 23.91 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.032 1.333 . . . . 10.0 111.602 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -134.25 53.71 1.98 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.59 1.556 . . . . 10.0 111.781 -169.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -62.7 175.14 0.86 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -131.66 -178.82 5.04 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.35 1.86 . . . . 10.0 111.353 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -67.11 170.64 6.64 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.661 1.184 . . . . 10.0 112.673 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -56.97 157.92 5.35 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.986 1.314 . . . . 10.0 113.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.21 -170.83 33.42 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.588 1.089 . . . . 10.0 113.625 -175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -58.02 146.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.838 1.255 . . . . 10.0 112.873 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.17 153.66 20.79 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.675 2.917 . . . . 10.0 114.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.2 pt -138.32 154.26 73.6 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 126.351 1.86 . . . . 10.0 110.484 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.8 157.42 47.78 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.344 2.696 . . . . 10.0 112.723 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -142.72 90.78 7.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.443 1.497 . . . . 10.0 111.536 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.16 -28.6 62.06 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.461 3.44 . . . . 10.0 116.538 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.1 mt 49.79 34.86 8.1 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.093 1.757 . . . . 10.0 114.281 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -138.54 161.7 36.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.414 1.886 . . . . 10.0 111.236 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.97 -178.03 44.52 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.842 1.211 . . . . 10.0 113.532 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -148.28 150.32 33.45 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.624 1.569 . . . . 10.0 111.051 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -149.7 150.69 32.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.583 1.553 . . . . 10.0 111.097 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -154.77 168.07 28.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.775 1.23 . . . . 10.0 113.046 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.4 m -140.16 146.44 38.78 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.764 1.626 . . . . 10.0 110.12 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.8 159.72 21.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.99 0.916 . . . . 10.0 112.703 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -148.47 174.99 11.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.609 1.164 . . . . 10.0 112.935 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.63 46.32 1.59 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.511 1.524 . . . . 10.0 110.06 171.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.65 -10.42 52.09 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.036 1.495 . . . . 10.0 115.036 -175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.03 132.58 53.32 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.182 0.993 . . . . 10.0 112.827 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -155.18 143.5 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.638 1.575 . . . . 10.0 109.998 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.37 -162.7 36.49 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.051 0.834 . . . . 10.0 113.571 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.2 pt -116.51 171.03 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.76 1.624 . . . . 10.0 111.009 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -56.65 131.72 77.86 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.972 0.909 . . . . 10.0 113.135 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -81.22 -130.1 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.254 0 C-N-CA 124.595 3.53 . . . . 10.0 110.122 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 64.02 15.19 9.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.1 1.76 . . . . 10.0 115.218 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.1 p -57.47 -39.37 76.23 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.671 -1.268 . . . . 10.0 112.387 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.488 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.379 27.6 ttt -83.47 -11.01 57.99 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.279 1.215 . . . . 10.0 114.279 173.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -70.27 -39.44 74.95 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.835 -1.791 . . . . 10.0 107.182 167.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -34.25 77.38 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.792 1.237 . . . . 10.0 111.811 168.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.6 mm? -58.21 -51.2 70.76 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.608 1.549 . . . . 10.0 109.547 169.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.24 -29.07 68.61 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 120.077 -0.649 . . . . 10.0 111.384 -169.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -71.72 -47.12 56.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.606 2.762 . . . . 10.0 113.902 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -36.35 31.07 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.609 1.163 . . . . 10.0 113.399 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -26.15 67.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.803 1.641 . . . . 10.0 110.486 170.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -79.74 -36.4 37.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.759 1.224 . . . . 10.0 111.269 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -62.05 -41.83 98.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.8 0.84 . . . . 10.0 111.557 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.17 -56.2 4.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 125.911 1.684 . . . . 10.0 107.734 169.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -66.79 -40.39 88.11 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.282 1.033 . . . . 10.0 112.44 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.73 60.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.714 1.143 . . . . 10.0 112.352 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.297 2.4 t-80 -70.06 -20.6 63.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.601 1.16 . . . . 10.0 111.041 169.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.71 -43.2 38.45 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 120.285 -1.509 . . . . 10.0 109.761 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.46 -39.24 91.77 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.339 1.427 . . . . 10.0 111.123 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.56 -24.62 67.66 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.96 -1.088 . . . . 10.0 110.258 168.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' A' ' 87' ' ' LEU . 24.0 tp -77.76 -41.4 37.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.589 -1.196 . . . . 10.0 113.335 173.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.7 m -61.46 -40.91 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.844 1.657 . . . . 10.0 110.042 169.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -66.28 -42.14 88.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 116.419 -1.753 . . . . 10.0 108.693 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.98 -34.56 74.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 121.86 2.118 . . . . 10.0 111.546 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -62.12 -46.07 90.65 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 118.623 0.647 . . . . 10.0 110.434 169.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.589 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.28 -34.74 79.07 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.736 2.014 . . . . 10.0 112.924 177.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -71.83 -39.32 69.87 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.35 1.46 . . . . 10.0 109.371 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 HD11 ' A' ' 77' ' ' LEU 0.453 0.0 OUTLIER -68.89 -35.47 76.9 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 118.447 -0.787 . . . . 10.0 111.631 172.022 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.4 74.01 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.604 -1.935 . . . . 10.0 113.207 169.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.81 -25.31 61.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.853 1.261 . . . . 10.0 112.39 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.23 -30.69 38.58 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.768 -1.207 . . . . 10.0 111.718 169.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.64 -39.55 88.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.18 -1.575 . . . . 10.0 109.215 168.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.3 tptt -60.13 -21.55 61.73 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.635 1.174 . . . . 10.0 111.974 169.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.88 -46.24 15.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.2 1.556 . . . . 10.0 115.2 172.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.336 2.9 p -65.27 -19.57 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.033 -1.042 . . . . 10.0 111.449 169.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.92 -47.9 78.71 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.408 -1.432 . . . . 10.0 111.34 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.42 -37.39 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.298 1.439 . . . . 10.0 113.844 -169.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.22 78.02 6.61 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.526 0.73 . . . . 10.0 111.374 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.6 Cg_endo -61.39 53.84 0.1 Allowed 'Trans proline' 0 CA--C 1.546 1.094 1 C-N-CA 126.942 5.095 . . . . 10.0 117.581 -176.276 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.3 m-20 -74.48 148.72 40.77 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.343 -1.473 . . . . 10.0 108.487 167.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 80.0 m-20 -57.56 -23.4 50.35 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.05 -41.32 87.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 CA-C-O 116.104 -1.903 . . . . 10.0 114.443 169.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.39 -26.0 64.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.857 2.571 . . . . 10.0 109.729 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -76.5 -36.15 57.96 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.469 1.508 . . . . 10.0 111.809 169.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 m -73.74 -35.27 65.03 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 122.993 1.378 . . . . 10.0 114.036 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.3 m -62.44 -28.91 70.13 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 130.3 3.44 . . . . 10.0 108.314 168.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.82 -53.59 44.47 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.166 -1.014 . . . . 10.0 110.812 167.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -59.18 -24.97 63.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.109 1.364 . . . . 10.0 113.076 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -73.92 -45.49 50.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.021 2.528 . . . . 10.0 113.492 169.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.19 -41.52 81.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.745 1.259 . . . . 10.0 111.667 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -63.91 -26.66 68.7 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.548 2.739 . . . . 10.0 111.69 169.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.22 65.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.111 0.964 . . . . 10.0 111.243 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.7 83.64 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 120.554 1.524 . . . . 10.0 109.586 168.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 58' ' ' LEU . 38.1 t -51.32 -39.16 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 120.832 1.651 . . . . 10.0 110.397 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -69.03 -36.94 78.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.292 1.405 . . . . 10.0 113.747 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -55.89 -54.6 42.71 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.042 1.337 . . . . 10.0 110.248 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.746 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.23 -42.37 99.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.081 2.952 . . . . 10.0 111.161 -175.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.23 -41.85 66.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.192 1.797 . . . . 10.0 111.01 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -47.95 81.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.674 0.789 . . . . 10.0 110.112 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.19 -60.36 3.5 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 116.45 -1.738 . . . . 10.0 109.149 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.84 -28.38 69.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 121.973 2.169 . . . . 10.0 114.361 -172.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.92 -51.36 51.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 120.595 1.543 . . . . 10.0 110.77 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.68 80.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.897 1.348 . . . . 10.0 113.628 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.2 tp -69.13 -51.9 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 129.889 3.276 . . . . 10.0 109.794 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE3' HD12 ' A' ' 91' ' ' LEU . 74.0 mttt -63.86 -30.19 71.3 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.128 0.971 . . . . 10.0 110.689 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -36.58 63.96 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 117.394 -1.289 . . . . 10.0 112.865 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -56.32 -45.1 80.46 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 120.276 1.398 . . . . 10.0 107.76 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.76 -51.22 70.45 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 117.412 -1.28 . . . . 10.0 112.47 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.37 58.58 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 121.463 1.938 . . . . 10.0 114.758 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.43 -43.89 20.21 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.429 1.013 . . . . 10.0 113.544 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.32 -53.17 59.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.144 2.578 . . . . 10.0 112.714 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.8 -43.93 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 126.989 2.116 . . . . 10.0 107.849 -169.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.66 6.14 0.37 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.698 1.999 . . . . 10.0 115.083 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.34 -14.26 5.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.383 2.273 . . . . 10.0 113.206 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -27.13 68.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.943 -1.098 . . . . 10.0 110.892 169.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -71.57 -24.02 61.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 129.111 2.964 . . . . 10.0 114.212 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.648 1.979 . . . . 10.0 112.619 -171.058 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.92 -18.77 0.66 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.514 1.301 . . . . 10.0 114.514 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -151.29 149.04 28.91 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.019 1.327 . . . . 10.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -144.94 164.06 32.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.667 1.587 . . . . 10.0 111.438 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -145.06 139.4 27.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.044 1.337 . . . . 10.0 110.761 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -148.64 5.09 0.69 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -173.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.81 133.25 48.89 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.939 -1.1 . . . . 10.0 111.148 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.3 -166.76 37.91 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.62 1.105 . . . . 10.0 112.911 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -135.24 148.42 66.32 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 125.932 1.693 . . . . 10.0 111.062 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.32 -22.45 9.6 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.974 2.45 . . . . 10.0 114.096 -174.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -66.62 139.13 95.82 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.169 0.987 . . . . 10.0 112.418 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.11 162.84 3.73 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.776 3.65 . . . . 10.0 114.776 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.14 137.8 13.65 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.089 1.356 . . . . 10.0 110.202 174.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.25 165.11 33.6 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.959 2.44 . . . . 10.0 112.944 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -142.99 -47.69 0.32 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.704 1.602 . . . . 10.0 111.419 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.86 151.64 46.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.842 1.257 . . . . 10.0 111.248 170.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.32 -13.82 0.03 OUTLIER Glycine 0 CA--C 1.538 1.5 0 N-CA-C 117.206 1.642 . . . . 10.0 117.206 176.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -148.04 155.44 41.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.373 1.587 . . . . 10.0 111.748 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.85 163.59 9.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.186 1.394 . . . . 10.0 113.55 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -140.82 20.38 2.32 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.006 1.322 . . . . 10.0 114.146 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -141.42 168.63 19.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.235 . . . . 10.0 113.043 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -152.6 158.04 41.88 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.948 2.099 . . . . 10.0 110.322 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -134.1 -19.3 1.99 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.635 1.574 . . . . 10.0 113.31 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.26 115.39 17.95 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.426 1.012 . . . . 10.0 110.906 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.7 142.37 31.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.248 1.419 . . . . 10.0 111.161 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -161.99 178.25 9.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.366 1.867 . . . . 10.0 111.18 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -142.28 150.32 40.71 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 10.0 111.109 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.07 42.93 0.25 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.536 1.065 . . . . 10.0 113.74 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.8 tp -145.39 159.03 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.609 1.564 . . . . 10.0 111.388 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -141.39 153.74 66.28 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 126.33 1.852 . . . . 10.0 112.845 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -80.31 168.75 18.11 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.976 2.45 . . . . 10.0 114.285 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.85 6.69 0.46 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.468 1.907 . . . . 10.0 115.425 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 t -52.96 -33.14 49.83 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.767 -1.208 . . . . 10.0 113.42 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.467 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.384 27.7 ttt -89.2 -15.24 34.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 175.027 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -65.5 -38.91 91.11 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.232 -1.542 . . . . 10.0 107.319 167.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -37.85 88.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.326 1.45 . . . . 10.0 112.34 169.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.8 mm? -56.24 -49.83 73.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.833 1.651 . . . . 10.0 110.266 169.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -65.84 -32.88 74.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 120.375 -0.53 . . . . 10.0 111.53 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.48 -46.86 58.74 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.266 2.226 . . . . 10.0 112.938 169.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -35.54 34.88 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 119.689 1.132 . . . . 10.0 113.178 -171.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.97 -28.63 68.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.98 1.312 . . . . 10.0 110.482 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.89 -39.03 61.71 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.783 1.233 . . . . 10.0 111.153 168.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.22 -42.94 99.48 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.571 1.149 . . . . 10.0 111.407 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.84 -57.41 2.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 125.774 1.629 . . . . 10.0 108.494 169.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -36.03 78.34 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.42 0.688 . . . . 10.0 112.429 -173.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -39.79 48.08 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 120.738 -1.226 . . . . 10.0 112.456 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.548 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.292 3.0 t-80 -70.26 -21.8 62.94 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.993 1.317 . . . . 10.0 110.622 169.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 -44.13 41.78 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.203 -1.561 . . . . 10.0 109.863 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.71 -38.92 90.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.507 1.503 . . . . 10.0 111.301 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.18 -26.07 68.36 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.346 -0.846 . . . . 10.0 110.283 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.6 tp -74.2 -48.13 31.0 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.156 -0.926 . . . . 10.0 112.853 172.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -59.34 -38.54 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 120.983 1.72 . . . . 10.0 110.297 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -67.45 -39.73 85.38 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 115.984 -1.96 . . . . 10.0 110.182 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.49 81.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.514 1.961 . . . . 10.0 111.317 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -49.04 76.66 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.71 0.686 . . . . 10.0 109.778 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.67 -33.97 70.72 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.144 1.778 . . . . 10.0 112.543 176.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -75.24 -42.04 56.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 128.275 2.63 . . . . 10.0 110.968 177.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 77' ' ' LEU 0.441 0.0 OUTLIER -66.52 -33.53 75.89 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.501 -0.761 . . . . 10.0 111.097 170.182 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -67.87 -34.38 76.57 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 119.722 -1.861 . . . . 10.0 113.493 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.87 -24.34 65.23 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.679 1.127 . . . . 10.0 111.947 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.61 -30.2 36.79 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.505 -1.372 . . . . 10.0 111.748 168.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.57 -37.97 86.07 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.136 -1.603 . . . . 10.0 109.509 169.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.502 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.2 tptt -57.22 -36.61 71.1 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.3 1.04 . . . . 10.0 110.395 169.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -39.51 75.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.317 3.4 p -76.13 -21.57 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 O-C-N 121.435 -0.791 . . . . 10.0 112.497 169.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.78 -37.41 87.53 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.932 -1.73 . . . . 10.0 111.83 168.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -111.2 -24.51 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 117.386 2.365 . . . . 10.0 117.386 -166.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -150.75 71.63 8.84 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.435 0.694 . . . . 10.0 112.194 169.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.277 4.6 Cg_endo -59.83 53.09 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 1 C-N-CA 127.376 5.384 . . . . 10.0 118.972 -173.189 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.99 150.58 38.94 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 119.834 -1.791 . . . . 10.0 108.93 167.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 31.2 t70 -56.41 -25.77 51.2 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.096 0.95 . . . . 10.0 113.082 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -40.92 88.18 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 CA-C-O 116.148 -1.882 . . . . 10.0 114.521 169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -68.83 -24.46 64.38 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 122.813 2.551 . . . . 10.0 109.919 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.9 mttt -79.71 -29.9 40.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.661 1.584 . . . . 10.0 112.334 171.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -80.08 -35.8 36.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 123.17 1.462 . . . . 10.0 113.972 172.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.0 m -61.36 -28.84 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.06 3.344 . . . . 10.0 108.108 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.32 -53.76 47.63 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.082 -1.047 . . . . 10.0 111.156 168.082 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -59.81 -25.84 65.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.708 1.603 . . . . 10.0 112.61 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -72.81 -46.0 55.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.999 2.519 . . . . 10.0 113.171 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.34 -40.99 81.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.894 1.331 . . . . 10.0 111.988 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.92 -29.27 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 128.343 2.657 . . . . 10.0 111.705 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.34 -32.23 66.33 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.305 1.042 . . . . 10.0 111.402 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.09 -48.15 71.91 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.975 1.261 . . . . 10.0 109.284 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 58' ' ' LEU . 41.1 t -51.61 -40.16 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 121.138 1.79 . . . . 10.0 110.482 172.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -67.79 -37.69 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.182 1.355 . . . . 10.0 113.973 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.5 m -55.71 -55.51 31.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.354 1.462 . . . . 10.0 110.548 169.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.13 99.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 129.323 3.049 . . . . 10.0 111.202 -175.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.56 -42.71 70.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.178 1.791 . . . . 10.0 110.814 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -57.9 -48.98 78.29 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.749 0.82 . . . . 10.0 110.12 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.31 -60.34 3.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.018 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.544 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.33 -29.03 70.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.602 2.001 . . . . 10.0 114.573 -171.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.01 -51.06 54.58 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 120.776 1.625 . . . . 10.0 111.086 169.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -33.07 74.46 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.458 1.129 . . . . 10.0 113.69 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.29 -51.95 15.72 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 129.874 3.27 . . . . 10.0 109.912 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -62.29 -30.94 71.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.071 . . . . 10.0 110.732 174.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -35.85 63.38 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 117.485 -1.245 . . . . 10.0 113.147 169.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.32 -44.61 84.33 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.586 1.539 . . . . 10.0 107.788 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.74 -51.84 67.9 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.637 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.29 -24.76 57.03 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.455 1.934 . . . . 10.0 114.446 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -80.53 -44.8 18.49 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.589 1.086 . . . . 10.0 113.732 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.84 -53.25 57.8 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.247 2.619 . . . . 10.0 112.84 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.34 -43.81 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 126.752 2.021 . . . . 10.0 107.905 -169.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.44 5.63 0.39 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.165 2.186 . . . . 10.0 115.205 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.15 -24.38 4.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.55 2.34 . . . . 10.0 112.929 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -27.99 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.948 1.299 . . . . 10.0 111.977 169.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.67 -18.42 62.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 128.736 2.814 . . . . 10.0 114.88 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.089 1.755 . . . . 10.0 113.28 -169.289 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.333 0.111 . . . . 10.0 111.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -67.52 154.63 40.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.977 0.911 . . . . 10.0 113.343 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.29 126.05 24.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.365 1.066 . . . . 10.0 111.773 172.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.23 -21.2 62.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -140.38 142.54 35.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.931 1.692 . . . . 10.0 110.098 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -161.28 168.63 23.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.863 1.265 . . . . 10.0 112.309 -172.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.45 160.02 40.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.216 1.806 . . . . 10.0 110.405 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.48 175.77 46.58 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.656 -0.652 . . . . 10.0 114.637 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -145.57 158.38 50.36 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 128.098 2.559 . . . . 10.0 109.602 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.08 51.22 3.58 Favored 'Trans proline' 0 CA--C 1.551 1.349 0 C-N-CA 124.582 3.521 . . . . 10.0 113.208 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.4 pt -136.02 157.01 76.68 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 127.206 2.202 . . . . 10.0 110.699 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.28 166.95 26.55 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.201 2.601 . . . . 10.0 112.489 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -137.28 136.89 21.25 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.312 1.445 . . . . 10.0 110.441 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -71.1 142.91 43.15 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 122.69 2.26 . . . . 10.0 112.983 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.46 172.93 17.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.292 1.837 . . . . 10.0 111.023 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.35 30.22 9.91 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.543 1.537 . . . . 10.0 113.729 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.36 28.04 0.15 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.325 0.964 . . . . 10.0 114.871 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.36 2.98 10.3 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.511 1.524 . . . . 10.0 113.272 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -141.78 15.25 2.13 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.858 1.663 . . . . 10.0 112.378 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -62.77 151.84 37.52 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.578 1.551 . . . . 10.0 113.395 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -140.94 163.27 33.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.959 1.704 . . . . 10.0 111.466 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.39 149.57 29.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.74 1.216 . . . . 10.0 111.208 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -153.66 162.88 40.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.639 1.176 . . . . 10.0 112.554 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 tp -152.86 151.82 30.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.27 1.428 . . . . 10.0 110.819 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -65.51 161.51 19.97 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.736 1.214 . . . . 10.0 112.899 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.27 118.08 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.847 0.859 . . . . 10.0 111.821 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -75.16 127.46 33.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.1 0.96 . . . . 10.0 111.033 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.96 -168.15 39.89 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.352 0.977 . . . . 10.0 113.5 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 pt -131.93 156.96 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.95 1.7 . . . . 10.0 111.048 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -69.33 126.19 92.5 Favored Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -92.27 -4.67 3.63 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.858 3.038 . . . . 10.0 115.187 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -40.64 -42.55 1.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 118.019 2.6 . . . . 10.0 118.019 -168.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.4 t -63.68 -34.81 78.68 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.832 1.196 . . . . 10.0 113.447 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.46 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.394 24.1 ttt -93.2 -15.63 25.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.23 0.923 . . . . 10.0 113.367 170.029 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 m -64.16 -37.16 86.46 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.17 -1.581 . . . . 10.0 107.812 167.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -37.62 88.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.626 1.57 . . . . 10.0 111.806 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD11 HG22 ' A' ' 102' ' ' VAL . 2.0 mm? -56.31 -52.94 62.68 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.217 1.371 . . . . 10.0 109.162 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.97 -36.17 79.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.688 -0.805 . . . . 10.0 111.389 -170.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -62.65 -43.71 98.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.046 2.138 . . . . 10.0 113.648 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.81 -36.31 31.86 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 121.141 -0.974 . . . . 10.0 112.757 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -24.55 65.17 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.136 2.175 . . . . 10.0 110.112 170.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.19 -39.48 29.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.512 1.525 . . . . 10.0 110.76 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.05 -41.95 93.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.355 1.062 . . . . 10.0 111.439 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -51.18 -57.99 2.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 125.517 1.527 . . . . 10.0 108.24 169.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -36.63 79.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.956 0.502 . . . . 10.0 112.22 -172.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.97 52.96 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.587 1.085 . . . . 10.0 112.336 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.316 2.4 t-80 -69.84 -20.33 63.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.45 1.1 . . . . 10.0 110.948 169.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.79 -44.13 33.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.191 -1.568 . . . . 10.0 109.484 168.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.26 -37.15 84.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.952 1.705 . . . . 10.0 111.503 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -65.45 -25.62 67.59 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.158 -0.964 . . . . 10.0 110.128 168.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.1 tp -76.6 -43.44 38.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.11 0.868 . . . . 10.0 113.154 173.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.86 -38.83 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 CA-C-N 120.514 1.506 . . . . 10.0 110.501 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.0 m -68.29 -34.09 75.52 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 116.097 -1.906 . . . . 10.0 110.289 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.47 81.22 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.508 1.958 . . . . 10.0 110.987 169.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.67 -44.77 92.77 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.108 0.867 . . . . 10.0 110.664 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.18 -31.75 72.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.19 2.196 . . . . 10.0 112.549 178.046 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.59 -40.91 63.52 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.784 2.033 . . . . 10.0 110.025 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.3 OUTLIER -65.99 -35.66 81.19 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 118.676 -0.678 . . . . 10.0 111.571 170.338 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.73 72.96 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.755 -1.841 . . . . 10.0 112.542 171.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.78 -23.37 62.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.182 0.993 . . . . 10.0 112.29 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.11 -33.11 38.99 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.551 -1.343 . . . . 10.0 112.029 168.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.5 -38.27 86.87 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.303 -1.498 . . . . 10.0 109.812 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 67' ' ' VAL . 9.9 tptt -60.52 -20.88 61.62 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 124.745 1.218 . . . . 10.0 112.258 169.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.7 -46.15 13.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 172.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.34 3.4 p -65.23 -19.61 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.955 -1.091 . . . . 10.0 111.383 169.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.68 -48.0 78.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.668 1.587 . . . . 10.0 111.545 167.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.9 -37.67 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.531 1.532 . . . . 10.0 113.91 -169.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -152.34 78.34 6.43 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.471 0.708 . . . . 10.0 111.199 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 6.0 Cg_endo -61.13 55.17 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.032 1 C-N-CA 127.006 5.138 . . . . 10.0 117.433 -176.186 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -75.47 149.21 38.54 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 120.356 -1.465 . . . . 10.0 108.68 167.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.5 t70 -56.6 -25.25 52.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.24 -41.44 89.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 CA-C-O 116.193 -1.861 . . . . 10.0 114.695 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.2 -24.47 63.12 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 122.694 2.497 . . . . 10.0 109.558 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.7 mttt -77.98 -40.6 38.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.248 1.419 . . . . 10.0 111.047 170.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -33.2 74.72 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 122.91 1.338 . . . . 10.0 114.198 172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -65.97 -29.3 69.67 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 129.992 3.317 . . . . 10.0 108.866 169.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.02 -51.53 57.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 118.701 -1.2 . . . . 10.0 109.583 167.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.81 -25.26 60.35 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.607 1.163 . . . . 10.0 113.815 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -76.33 -45.18 33.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.089 2.556 . . . . 10.0 113.73 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.44 -39.4 85.4 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.824 -1.173 . . . . 10.0 111.135 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.1 ttt-85 -62.76 -28.68 70.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.478 2.711 . . . . 10.0 111.935 169.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.55 68.33 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.247 -0.883 . . . . 10.0 111.505 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.92 76.18 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 120.518 1.508 . . . . 10.0 110.024 168.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.0 -38.83 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.631 1.56 . . . . 10.0 109.825 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 t -68.76 -38.28 79.98 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 120.534 1.515 . . . . 10.0 113.977 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.5 m -54.77 -55.25 32.08 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.138 1.375 . . . . 10.0 110.352 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.701 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.81 -43.98 97.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.226 3.011 . . . . 10.0 111.066 -175.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -70.71 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.318 1.847 . . . . 10.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 m -58.37 -49.84 75.81 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.789 0.722 . . . . 10.0 110.117 171.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -52.57 -60.02 3.75 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-O 116.486 -1.721 . . . . 10.0 109.088 173.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.7 -29.77 70.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 116.705 -1.617 . . . . 10.0 114.452 -171.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.98 73.2 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.713 1.597 . . . . 10.0 110.595 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -27.41 66.15 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.7 tp -76.66 -49.16 16.85 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 127.941 2.496 . . . . 10.0 108.763 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -64.33 -31.32 72.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.297 1.039 . . . . 10.0 110.62 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -38.42 65.06 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.533 -1.222 . . . . 10.0 112.928 169.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.54 -48.29 69.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 106.93 -1.507 . . . . 10.0 106.93 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.04 -50.77 71.73 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 117.938 -1.03 . . . . 10.0 111.743 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.13 58.55 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.751 1.614 . . . . 10.0 114.882 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.13 -41.29 25.74 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.957 1.095 . . . . 10.0 113.957 170.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.36 -53.45 56.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.824 2.45 . . . . 10.0 112.097 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 37' ' ' LEU . 47.3 t -67.59 -44.83 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 C-N-CA 127.137 2.175 . . . . 10.0 107.733 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.15 8.31 0.59 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.086 1.754 . . . . 10.0 115.12 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.01 -17.93 5.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.976 2.111 . . . . 10.0 112.664 170.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -18.35 60.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.884 1.274 . . . . 10.0 111.638 169.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -84.31 -14.06 50.74 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.343 3.057 . . . . 10.0 113.973 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.255 0 C-N-CA 126.338 1.855 . . . . 10.0 112.17 -169.902 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.023 -0.036 . . . . 10.0 111.028 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -133.13 -0.93 3.3 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.95 153.44 43.58 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.504 1.122 . . . . 10.0 113.268 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -137.62 -2.23 1.98 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.711 1.204 . . . . 10.0 113.622 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -157.35 168.32 27.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.102 1.761 . . . . 10.0 111.181 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -69.1 155.54 40.2 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.846 0.859 . . . . 10.0 111.891 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 49.2 -154.47 0.1 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.749 1.62 . . . . 10.0 114.266 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.81 166.68 35.07 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.827 1.203 . . . . 10.0 113.473 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -143.35 156.3 60.79 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.696 1.998 . . . . 10.0 110.935 -176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -51.61 147.03 24.72 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.557 2.838 . . . . 10.0 113.652 170.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.89 155.14 73.19 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.629 1.572 . . . . 10.0 112.002 -176.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.1 162.43 40.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.653 2.902 . . . . 10.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -150.42 158.79 35.74 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.064 1.346 . . . . 10.0 111.273 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.65 -7.43 20.17 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.019 2.479 . . . . 10.0 114.948 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.03 -6.72 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.339 1.056 . . . . 10.0 113.377 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.96 137.94 57.68 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.344 1.058 . . . . 10.0 111.553 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.58 52.58 0.07 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.409 0.528 . . . . 10.0 113.964 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -53.27 127.58 25.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.049 1.34 . . . . 10.0 112.557 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.97 141.28 58.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.89 1.276 . . . . 10.0 113.112 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -151.15 -14.78 0.21 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 p -74.09 146.21 43.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.544 1.066 . . . . 10.0 113.098 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.42 155.02 40.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.914 0.886 . . . . 10.0 112.487 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.96 50.41 1.2 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.432 1.493 . . . . 10.0 112.324 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.0 tp -145.29 148.87 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.367 1.467 . . . . 10.0 111.83 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -149.82 151.11 32.99 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.783 1.633 . . . . 10.0 110.948 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -76.93 69.64 3.26 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.901 1.28 . . . . 10.0 111.724 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.94 -26.58 68.27 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.432 1.493 . . . . 10.0 114.587 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.54 -178.38 45.49 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.01 1.29 . . . . 10.0 113.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.4 pt -71.94 170.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.636 0.775 . . . . 10.0 112.491 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.04 142.55 89.17 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 121.325 -0.859 . . . . 10.0 112.307 172.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.23 -3.7 14.23 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.336 2.69 . . . . 10.0 114.864 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.41 -23.61 57.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.871 1.268 . . . . 10.0 114.199 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.4 p -55.15 -34.9 64.19 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.164 -0.96 . . . . 10.0 112.357 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.505 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.377 28.4 ttt -85.47 -14.21 46.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.283 1.216 . . . . 10.0 114.283 174.288 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -67.17 -40.05 86.54 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 119.978 -1.701 . . . . 10.0 107.619 167.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -37.51 87.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.829 1.252 . . . . 10.0 112.385 169.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.1 mm? -56.64 -49.85 73.79 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.571 1.532 . . . . 10.0 110.334 170.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.15 -31.82 72.89 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.515 -169.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.59 -47.35 55.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.221 2.208 . . . . 10.0 112.963 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -36.52 33.45 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.562 1.074 . . . . 10.0 113.157 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -66.56 -25.78 66.81 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.494 1.518 . . . . 10.0 110.814 170.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -79.83 -37.64 34.63 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.387 1.075 . . . . 10.0 110.924 168.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.85 -42.65 94.09 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.685 1.194 . . . . 10.0 111.533 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.66 -56.96 3.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 C-N-CA 125.835 1.654 . . . . 10.0 108.247 169.427 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -35.34 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.009 0.924 . . . . 10.0 112.676 -172.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.03 -39.03 51.63 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.841 -1.162 . . . . 10.0 112.151 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.379 3.1 t60 -72.37 -19.31 61.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.454 1.501 . . . . 10.0 111.512 169.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 -41.33 28.97 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 120.347 -1.471 . . . . 10.0 108.945 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.65 -40.23 95.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.28 1.4 . . . . 10.0 111.475 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.59 -22.98 67.11 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 120.943 -1.098 . . . . 10.0 110.503 168.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.1 tp -78.68 -41.57 30.81 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 117.564 -1.207 . . . . 10.0 112.742 173.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.5 m -60.93 -41.91 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 120.627 1.558 . . . . 10.0 110.187 169.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 m -65.63 -42.16 91.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-O 116.695 -1.621 . . . . 10.0 108.526 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.23 76.52 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 121.592 1.996 . . . . 10.0 111.617 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.4 mmm180 -61.28 -45.56 93.97 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.701 0.682 . . . . 10.0 110.405 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.68 -33.47 75.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.836 2.055 . . . . 10.0 113.331 177.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -72.16 -38.89 69.05 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.202 1.401 . . . . 10.0 109.327 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 77' ' ' LEU 0.461 0.0 OUTLIER -69.29 -35.15 75.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.428 -0.796 . . . . 10.0 111.63 172.32 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -32.99 74.86 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 119.634 -1.916 . . . . 10.0 113.307 169.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.12 -25.35 62.55 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.756 1.223 . . . . 10.0 112.438 171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.01 -31.03 39.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.828 -1.17 . . . . 10.0 111.884 169.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.61 -39.73 88.48 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.175 -1.578 . . . . 10.0 109.44 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.8 tptt -59.93 -21.57 61.29 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 124.592 1.157 . . . . 10.0 112.155 169.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.01 -46.6 14.8 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.263 1.579 . . . . 10.0 115.263 172.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.332 2.9 p -64.94 -19.66 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 121.001 -1.062 . . . . 10.0 111.346 169.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.97 -48.89 74.66 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.364 -1.46 . . . . 10.0 111.382 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.02 -37.89 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.279 1.432 . . . . 10.0 113.972 -169.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.19 78.51 6.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.453 0.701 . . . . 10.0 111.045 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.268 5.8 Cg_endo -60.58 54.75 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 1 C-N-CA 127.005 5.136 . . . . 10.0 117.522 -176.599 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.3 m-20 -74.21 147.7 42.25 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 120.292 -1.505 . . . . 10.0 108.602 167.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.79 -24.03 55.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.051 0.759 . . . . 10.0 113.051 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.04 -40.85 86.37 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.229 0 CA-C-O 116.198 -1.858 . . . . 10.0 114.354 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -69.03 -25.99 64.76 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 122.854 2.57 . . . . 10.0 109.682 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.0 mttt -76.98 -36.77 56.21 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.628 1.571 . . . . 10.0 111.706 170.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -72.88 -35.19 67.09 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 122.986 1.374 . . . . 10.0 114.013 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 m -62.77 -28.88 70.29 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 130.243 3.417 . . . . 10.0 108.464 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.625 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -64.84 -53.51 45.62 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 119.003 -1.079 . . . . 10.0 110.64 167.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -58.62 -26.87 64.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.935 1.294 . . . . 10.0 113.107 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -72.22 -45.55 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.983 2.513 . . . . 10.0 113.455 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.29 -40.76 81.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.657 1.218 . . . . 10.0 111.816 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -64.11 -27.37 69.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.516 2.726 . . . . 10.0 111.745 169.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.75 63.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.555 1.142 . . . . 10.0 111.619 169.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.21 75.36 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 120.178 1.354 . . . . 10.0 108.981 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 58' ' ' LEU . 40.3 t -51.77 -39.51 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 120.844 1.656 . . . . 10.0 110.578 172.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -67.86 -36.71 80.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.228 1.376 . . . . 10.0 113.95 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -56.87 -55.09 38.93 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.125 1.37 . . . . 10.0 110.443 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.0 -42.14 98.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 129.029 2.932 . . . . 10.0 110.763 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.55 -43.07 70.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.151 1.78 . . . . 10.0 111.069 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 m -58.25 -49.17 78.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.942 0.897 . . . . 10.0 110.178 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.65 -60.26 3.54 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 117.058 -1.448 . . . . 10.0 108.913 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.16 -27.37 69.33 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 121.532 1.969 . . . . 10.0 114.752 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.55 -50.06 51.79 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 121.027 1.739 . . . . 10.0 111.013 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -34.13 76.97 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.125 0.963 . . . . 10.0 113.571 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.9 tp -72.66 -53.3 12.15 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 130.852 3.661 . . . . 10.0 110.312 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.0 mttm -60.98 -28.77 69.25 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.069 0.948 . . . . 10.0 110.502 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -38.07 59.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.362 1.465 . . . . 10.0 113.447 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -55.7 -43.52 76.53 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 120.562 1.528 . . . . 10.0 107.84 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . 2.0 mp -58.58 -52.6 64.99 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.407 -1.282 . . . . 10.0 113.013 171.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.29 -25.1 47.22 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 121.387 1.903 . . . . 10.0 114.309 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.58 -45.16 17.81 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.538 1.135 . . . . 10.0 113.694 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.1 mp -54.31 -53.11 58.28 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.168 2.587 . . . . 10.0 112.725 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.15 -44.34 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 C-N-CA 126.849 2.059 . . . . 10.0 107.78 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.63 6.31 0.34 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.987 2.115 . . . . 10.0 115.217 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.76 -12.57 4.8 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.431 2.293 . . . . 10.0 113.141 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.96 -24.14 67.43 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.919 -1.113 . . . . 10.0 110.752 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -75.82 -13.93 60.29 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 129.772 3.229 . . . . 10.0 114.713 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.464 1.906 . . . . 10.0 113.263 -169.88 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.52 0.193 . . . . 10.0 111.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 162.4 17.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.667 0.787 . . . . 10.0 112.979 169.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -142.86 147.34 35.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.037 1.335 . . . . 10.0 110.238 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -149.58 174.23 12.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.88 1.672 . . . . 10.0 111.051 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -127.18 104.18 7.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.871 1.268 . . . . 10.0 110.667 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -56.73 -27.06 58.6 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.064 1.346 . . . . 10.0 114.226 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.88 -28.03 68.58 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.24 1.416 . . . . 10.0 113.661 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.83 1.67 42.61 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.24 1.4 . . . . 10.0 114.453 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -58.51 150.28 56.71 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.92 1.288 . . . . 10.0 112.245 173.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.73 158.39 53.8 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.876 2.384 . . . . 10.0 112.693 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -157.74 139.9 10.28 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 125.766 1.626 . . . . 10.0 109.914 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.1 140.7 73.19 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.031 2.487 . . . . 10.0 110.982 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -61.29 127.63 88.48 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.246 0.618 . . . . 10.0 111.812 -174.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.0 -11.6 16.41 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.623 2.882 . . . . 10.0 114.645 -175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 tp 48.4 34.19 4.52 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.791 2.036 . . . . 10.0 113.707 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -150.4 127.56 11.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.044 1.738 . . . . 10.0 109.408 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.79 -92.01 0.08 OUTLIER Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.973 0.797 . . . . 10.0 112.655 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -143.17 162.46 35.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.106 1.762 . . . . 10.0 111.484 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -142.16 22.86 2.05 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.024 1.33 . . . . 10.0 112.894 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m 54.48 25.77 6.49 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.509 1.924 . . . . 10.0 115.569 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -59.25 -22.15 60.68 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.511 1.525 . . . . 10.0 115.025 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.55 -23.14 65.76 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.178 -0.951 . . . . 10.0 113.288 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -63.14 -16.14 59.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.873 -1.142 . . . . 10.0 113.491 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.7 11.47 19.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.554 1.942 . . . . 10.0 112.145 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.57 -29.17 61.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -144.66 148.56 34.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.221 1.408 . . . . 10.0 111.162 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -144.85 7.38 1.23 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.362 1.065 . . . . 10.0 113.696 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.24 -171.05 47.04 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.337 0.97 . . . . 10.0 112.6 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -142.53 -40.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 114.633 1.346 . . . . 10.0 114.633 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -157.12 135.03 7.2 Favored Pre-proline 0 N--CA 1.476 0.871 0 CA-C-N 120.009 1.277 . . . . 10.0 112.459 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -80.39 -9.87 13.61 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.662 2.908 . . . . 10.0 113.78 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.52 -26.07 63.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.995 1.318 . . . . 10.0 114.179 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.1 p -54.1 -34.16 59.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.775 0.83 . . . . 10.0 112.298 170.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.518 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.358 28.0 ttt -81.52 -18.2 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.541 1.311 . . . . 10.0 114.541 175.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 m -64.64 -38.66 91.77 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.929 -1.732 . . . . 10.0 108.456 167.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -35.59 80.63 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.86 1.264 . . . . 10.0 112.482 169.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.5 mm? -57.65 -49.71 75.58 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.816 1.644 . . . . 10.0 110.293 169.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.84 -28.21 68.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 120.314 -0.554 . . . . 10.0 111.726 -169.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -74.53 -47.72 31.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.96 2.904 . . . . 10.0 113.452 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.72 -37.11 27.83 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -174.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.08 67.64 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.077 1.351 . . . . 10.0 110.486 170.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.16 -38.4 36.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.595 1.158 . . . . 10.0 111.102 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -59.62 -42.62 93.09 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.702 0.801 . . . . 10.0 111.698 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -49.26 -57.25 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 C-N-CA 125.64 1.576 . . . . 10.0 108.751 169.669 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.98 -40.94 87.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.099 0.959 . . . . 10.0 112.025 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -36.8 63.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.411 1.005 . . . . 10.0 112.606 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.308 2.3 t-80 -73.68 -20.31 60.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.391 1.476 . . . . 10.0 110.86 170.138 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.93 -42.74 32.04 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.201 -1.562 . . . . 10.0 109.906 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.48 -39.51 88.8 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 120.129 1.331 . . . . 10.0 111.035 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.88 -24.6 67.8 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.037 -1.039 . . . . 10.0 110.228 168.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.23 -42.92 35.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.677 -1.154 . . . . 10.0 113.674 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.3 m -60.88 -42.51 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.649 1.568 . . . . 10.0 110.346 170.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.6 m -66.8 -37.46 84.58 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 116.558 -1.687 . . . . 10.0 109.35 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.15 79.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 121.215 1.825 . . . . 10.0 111.154 172.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.1 mmm180 -63.48 -45.99 88.21 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.24 0.927 . . . . 10.0 110.365 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -28.3 69.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.192 2.197 . . . . 10.0 113.077 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -40.7 26.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.934 2.093 . . . . 10.0 109.952 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.347 0.3 OUTLIER -65.7 -34.76 78.96 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.716 -0.659 . . . . 10.0 111.219 169.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.64 72.72 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 119.732 -1.855 . . . . 10.0 112.645 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.43 -23.13 61.79 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.325 1.05 . . . . 10.0 112.057 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.32 -32.81 37.86 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.412 -1.43 . . . . 10.0 112.202 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.8 -37.43 82.0 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.463 -1.398 . . . . 10.0 109.966 169.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.6 tptt -56.79 -37.8 71.65 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.749 0.819 . . . . 10.0 110.363 169.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -38.22 75.41 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.31 4.2 p -77.25 -21.74 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-N 118.896 0.771 . . . . 10.0 112.488 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.48 -38.84 92.42 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 120.135 -1.603 . . . . 10.0 111.602 168.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -109.63 -24.58 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 117.329 2.344 . . . . 10.0 117.329 -166.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -151.29 72.56 8.42 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.386 0.674 . . . . 10.0 111.947 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 3.3 Cg_endo -58.72 49.85 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.118 1 C-N-CA 127.566 5.511 . . . . 10.0 119.114 -173.773 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 82.9 m-20 -72.79 149.16 43.88 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 119.81 -1.806 . . . . 10.0 108.744 167.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.3 m-20 -56.95 -26.32 59.42 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.754 0.649 . . . . 10.0 112.754 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.0 -40.75 90.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.159 0 CA-C-O 116.377 -1.773 . . . . 10.0 114.7 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.17 -24.41 64.06 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 122.531 2.423 . . . . 10.0 109.922 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.3 mttt -76.76 -43.36 37.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.613 1.565 . . . . 10.0 111.183 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.05 -33.86 76.75 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -64.58 -30.1 71.13 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 129.586 3.155 . . . . 10.0 109.177 169.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.2 tm? -65.18 -51.47 60.87 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 118.29 -1.364 . . . . 10.0 109.774 167.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -57.8 -26.74 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.544 1.138 . . . . 10.0 113.604 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -75.22 -44.49 46.02 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.965 2.506 . . . . 10.0 113.726 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -68.71 -38.63 80.38 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.819 -1.176 . . . . 10.0 111.618 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -62.81 -31.0 71.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.077 2.551 . . . . 10.0 111.705 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.42 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.012 0.925 . . . . 10.0 111.843 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.83 61.35 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 120.084 1.311 . . . . 10.0 109.615 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -51.39 -38.09 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 120.955 1.707 . . . . 10.0 110.3 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -68.93 -39.05 79.81 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.922 1.237 . . . . 10.0 114.005 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -55.19 32.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.337 1.455 . . . . 10.0 110.57 169.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.11 -43.37 98.98 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.424 3.09 . . . . 10.0 111.159 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.41 -43.39 70.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.894 1.678 . . . . 10.0 110.823 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.1 m -56.93 -49.88 74.29 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.105 0.962 . . . . 10.0 109.828 171.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.3 -60.51 3.21 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.541 -1.695 . . . . 10.0 108.9 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.414 1.916 . . . . 10.0 114.935 -170.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.76 -50.71 52.03 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.548 1.522 . . . . 10.0 110.641 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -33.96 75.17 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.097 0.948 . . . . 10.0 113.432 175.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -72.88 -52.98 12.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 130.611 3.564 . . . . 10.0 109.983 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -61.53 -30.33 70.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.128 0.971 . . . . 10.0 110.571 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -34.53 60.51 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.917 1.287 . . . . 10.0 113.338 168.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.72 -43.34 85.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 120.501 1.5 . . . . 10.0 107.53 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.82 -52.16 66.89 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 117.289 -1.339 . . . . 10.0 113.114 172.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.28 -24.86 57.65 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 121.428 1.922 . . . . 10.0 114.236 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.49 -44.08 19.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.471 1.109 . . . . 10.0 113.674 169.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -52.82 62.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.223 2.609 . . . . 10.0 112.766 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t -65.77 -44.69 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.647 1.979 . . . . 10.0 107.826 -169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 3.07 0.51 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.174 2.19 . . . . 10.0 115.248 171.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.92 -12.8 5.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.488 2.315 . . . . 10.0 113.155 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.14 -25.25 68.0 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.787 -1.195 . . . . 10.0 110.357 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -72.08 -6.91 45.82 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 130.0 3.32 . . . . 10.0 114.563 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.545 1.938 . . . . 10.0 111.353 -171.133 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.473 -0.195 . . . . 10.0 110.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.54 162.46 40.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.19 1.396 . . . . 10.0 111.777 175.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 54.73 -166.37 0.09 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.625 1.57 . . . . 10.0 113.997 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -150.95 162.77 40.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.625 1.57 . . . . 10.0 111.715 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.88 -11.3 14.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.938 1.295 . . . . 10.0 113.095 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -137.04 172.43 13.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.585 1.554 . . . . 10.0 111.236 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -134.85 150.56 50.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.905 1.282 . . . . 10.0 111.573 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.39 -169.05 36.82 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.278 1.418 . . . . 10.0 112.486 -176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.55 147.99 61.98 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 125.394 1.478 . . . . 10.0 111.305 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.45 150.13 35.59 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.504 2.803 . . . . 10.0 114.227 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.6 mm -67.12 141.2 96.2 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 124.013 0.925 . . . . 10.0 108.804 169.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -59.83 144.4 99.46 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.157 3.238 . . . . 10.0 112.284 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -61.4 127.23 88.04 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.039 0.936 . . . . 10.0 112.718 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.55 163.82 33.46 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.539 2.826 . . . . 10.0 112.748 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 tp -76.0 66.13 2.15 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.268 1.427 . . . . 10.0 111.184 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.6 tp -144.2 146.32 32.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.332 1.453 . . . . 10.0 111.735 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.85 38.83 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.086 1.327 . . . . 10.0 113.204 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.56 -7.79 35.8 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.401 2.0 . . . . 10.0 116.401 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -144.14 144.55 31.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 10.0 112.467 -171.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -158.5 167.21 30.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.352 2.261 . . . . 10.0 110.078 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 p -133.95 158.16 44.2 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.5 1.12 . . . . 10.0 113.123 -173.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -152.19 156.37 39.63 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.444 1.898 . . . . 10.0 109.716 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -145.01 153.14 41.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.447 1.099 . . . . 10.0 112.262 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.7 tp -145.17 118.34 8.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.186 1.795 . . . . 10.0 109.437 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -144.28 8.91 1.41 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.278 1.031 . . . . 10.0 113.625 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -75.01 -2.35 26.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -138.25 161.72 36.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.196 1.799 . . . . 10.0 111.108 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.52 18.95 74.83 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 123.904 0.764 . . . . 10.0 114.183 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.9 pt -131.59 14.97 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.526 1.93 . . . . 10.0 112.35 -174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.02 140.31 77.77 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 125.695 1.598 . . . . 10.0 113.271 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.87 170.88 18.99 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.176 2.584 . . . . 10.0 113.374 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 63.05 7.53 2.76 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 117.054 2.242 . . . . 10.0 117.054 170.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.9 p -59.25 -40.17 85.12 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.299 -1.501 . . . . 10.0 113.67 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.43 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.376 26.6 ttt -89.03 -10.19 48.45 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 171.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -69.05 -38.33 79.05 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 119.937 -1.727 . . . . 10.0 106.987 166.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -35.42 80.28 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.715 1.606 . . . . 10.0 111.761 168.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.9 mm? -57.25 -51.52 69.02 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.621 1.555 . . . . 10.0 109.505 169.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.05 -25.66 65.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 120.55 -0.46 . . . . 10.0 112.178 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -78.84 -42.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.75 2.82 . . . . 10.0 114.009 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -36.89 30.34 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.913 -1.117 . . . . 10.0 112.941 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -24.46 66.61 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.672 1.589 . . . . 10.0 110.676 169.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.02 -39.59 29.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.362 1.465 . . . . 10.0 111.154 169.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.54 -42.34 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 10.0 111.84 171.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.446 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.47 -57.19 2.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 C-N-CA 125.6 1.56 . . . . 10.0 108.551 169.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.04 80.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.056 0.542 . . . . 10.0 111.927 -172.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -43.84 61.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.608 1.094 . . . . 10.0 112.26 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.545 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.324 2.1 t-80 -68.18 -20.0 64.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.81 1.244 . . . . 10.0 111.44 170.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -78.09 -42.88 30.72 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 120.179 -1.576 . . . . 10.0 109.749 168.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -66.13 -37.91 86.86 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.677 1.581 . . . . 10.0 111.238 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.12 -24.01 67.3 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -0.969 . . . . 10.0 110.147 168.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 87' ' ' LEU . 20.9 tp -79.65 -42.92 23.81 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 117.708 -1.139 . . . . 10.0 113.51 174.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.9 m -60.2 -41.89 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 120.586 1.539 . . . . 10.0 109.997 170.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.9 m -69.03 -34.5 75.32 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 116.047 -1.93 . . . . 10.0 110.339 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.05 79.55 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.54 1.973 . . . . 10.0 111.189 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -64.09 -45.92 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.211 0.914 . . . . 10.0 110.546 169.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.87 -29.7 70.66 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.408 2.283 . . . . 10.0 112.893 178.068 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -76.96 -42.26 39.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 127.097 2.159 . . . . 10.0 110.127 174.105 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -65.02 -33.54 76.29 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 118.607 -0.711 . . . . 10.0 111.561 171.069 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -30.93 71.38 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 119.859 -1.776 . . . . 10.0 112.854 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.99 -22.72 60.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.342 1.057 . . . . 10.0 111.858 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.22 -32.54 38.47 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.364 -1.46 . . . . 10.0 111.69 168.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.91 -37.1 81.27 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.511 -1.368 . . . . 10.0 110.017 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 18.5 tptt -57.19 -37.62 72.43 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.492 0.717 . . . . 10.0 110.393 169.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.2 -38.07 75.23 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -77.36 -21.85 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.943 0.792 . . . . 10.0 112.456 169.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.16 -38.24 90.34 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.098 -1.626 . . . . 10.0 111.472 168.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.9 p -109.65 -24.72 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -166.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -151.29 72.96 8.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.314 0.645 . . . . 10.0 111.859 169.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.3 Cg_endo -59.64 50.03 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.142 1 C-N-CA 127.382 5.388 . . . . 10.0 118.974 -173.84 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 80.1 m-20 -73.48 149.87 42.02 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 119.943 -1.723 . . . . 10.0 108.643 167.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 77.4 m-20 -57.66 -23.03 49.22 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.56 -41.08 87.83 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 CA-C-O 116.185 -1.864 . . . . 10.0 114.376 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -69.99 -25.2 63.49 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 122.753 2.524 . . . . 10.0 109.968 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -76.06 -41.65 49.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.61 1.564 . . . . 10.0 111.056 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -67.84 -32.81 73.59 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 122.844 1.306 . . . . 10.0 114.364 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.3 m -66.54 -29.5 69.6 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 130.087 3.355 . . . . 10.0 108.963 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -65.86 -51.15 61.3 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 118.405 -1.318 . . . . 10.0 109.401 167.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.91 -26.26 61.94 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.485 1.114 . . . . 10.0 113.728 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -75.44 -45.25 39.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.859 2.463 . . . . 10.0 113.767 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.92 -39.22 83.56 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.898 -1.126 . . . . 10.0 111.375 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -62.88 -30.38 71.48 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 128.379 2.671 . . . . 10.0 111.845 169.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.41 69.14 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.008 0.923 . . . . 10.0 111.678 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.62 65.26 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.932 1.242 . . . . 10.0 109.378 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.7 -38.26 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 121.019 1.736 . . . . 10.0 110.307 173.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -69.2 -37.83 78.29 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 120.069 1.304 . . . . 10.0 113.975 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.4 m -55.88 -54.96 38.32 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.398 1.479 . . . . 10.0 110.312 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.745 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.91 -42.77 99.9 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 129.456 3.102 . . . . 10.0 111.197 -175.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.34 -42.37 68.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.886 1.674 . . . . 10.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -57.65 -48.64 78.92 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.64 0.776 . . . . 10.0 110.029 171.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.81 -60.41 3.4 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 116.725 -1.607 . . . . 10.0 109.158 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.75 -26.79 68.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 121.684 2.038 . . . . 10.0 114.332 -171.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.66 -51.66 39.89 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.517 1.508 . . . . 10.0 110.585 168.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -34.11 75.03 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.712 1.256 . . . . 10.0 113.492 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.4 tp -73.02 -53.5 10.99 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 130.133 3.373 . . . . 10.0 110.013 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.2 mttm -61.92 -28.79 69.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.036 0.934 . . . . 10.0 110.638 174.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -34.16 58.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.703 1.601 . . . . 10.0 113.863 169.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -59.46 -44.59 92.97 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 120.419 1.463 . . . . 10.0 107.063 168.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.68 -52.04 67.08 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.429 171.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.1 -24.48 54.31 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.444 1.929 . . . . 10.0 114.333 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -80.68 -45.83 16.54 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.455 1.102 . . . . 10.0 113.613 169.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.03 -52.94 59.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.346 2.658 . . . . 10.0 112.529 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 42.4 t -67.41 -43.68 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 126.822 2.049 . . . . 10.0 107.878 -169.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 8.02 0.3 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.852 2.061 . . . . 10.0 114.975 170.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.87 -18.16 4.31 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.155 2.182 . . . . 10.0 112.88 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -27.55 66.45 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 120.888 -1.133 . . . . 10.0 111.078 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -71.51 -21.12 61.96 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.14 2.976 . . . . 10.0 114.659 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.056 1.742 . . . . 10.0 112.322 -169.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttm . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.25 -28.15 66.45 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.97 -23.33 67.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.576 1.151 . . . . 10.0 113.526 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.79 121.68 15.58 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.112 -0.993 . . . . 10.0 112.666 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -143.1 145.92 33.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.938 1.695 . . . . 10.0 110.282 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -154.78 127.2 7.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.531 1.132 . . . . 10.0 111.399 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.434 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 10.4 t-80 51.88 -169.55 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.501 1.92 . . . . 10.0 114.679 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' CG ' ' A' ' 7' ' ' HIS . . . 73.49 9.42 77.95 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.402 1.321 . . . . 10.0 116.402 172.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.53 125.09 81.48 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.873 1.269 . . . . 10.0 111.815 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.83 152.24 29.5 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.694 2.929 . . . . 10.0 114.47 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -152.69 136.08 9.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 125.478 1.511 . . . . 10.0 110.394 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.89 150.05 48.59 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.254 2.636 . . . . 10.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -70.09 140.38 88.26 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.611 0.764 . . . . 10.0 110.511 171.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.17 148.65 75.31 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.165 1.91 . . . . 10.0 111.585 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt 46.43 31.75 1.39 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.381 1.873 . . . . 10.0 114.942 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.07 133.35 55.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.775 1.23 . . . . 10.0 112.696 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.04 33.75 0.21 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.943 1.259 . . . . 10.0 113.424 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -149.15 174.59 12.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.721 1.608 . . . . 10.0 112.606 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.33 15.91 2.78 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.652 1.581 . . . . 10.0 112.142 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -60.98 156.23 18.18 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.211 1.804 . . . . 10.0 113.778 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -150.26 160.03 44.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.097 1.359 . . . . 10.0 111.391 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -154.53 157.0 37.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.739 1.616 . . . . 10.0 110.577 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -60.33 160.62 8.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.556 1.143 . . . . 10.0 113.262 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -136.26 136.52 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.383 1.473 . . . . 10.0 110.148 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -71.24 155.82 40.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.65 0.78 . . . . 10.0 111.64 173.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -145.25 160.45 41.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.274 1.43 . . . . 10.0 111.157 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -138.08 151.25 47.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.759 1.224 . . . . 10.0 111.623 -174.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.76 23.99 0.29 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.153 0.882 . . . . 10.0 114.587 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pp -81.05 -4.88 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.677 1.191 . . . . 10.0 113.984 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.18 160.88 68.35 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.882 1.273 . . . . 10.0 112.52 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.11 -16.49 16.98 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.986 3.124 . . . . 10.0 116.399 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 t80 61.81 -7.35 0.11 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.959 2.504 . . . . 10.0 116.081 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -53.1 -40.89 64.46 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.595 -1.315 . . . . 10.0 114.071 -173.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.476 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.397 28.4 ttt -86.81 -13.03 46.25 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.668 1.359 . . . . 10.0 114.668 176.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -69.57 -38.79 77.53 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 119.95 -1.719 . . . . 10.0 107.018 166.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.37 77.98 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 10.0 112.079 168.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.7 mm? -57.81 -51.19 70.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.9 1.682 . . . . 10.0 109.645 169.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.58 -30.36 70.64 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 120.306 -0.557 . . . . 10.0 111.369 -169.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -71.61 -46.59 58.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.645 2.778 . . . . 10.0 114.11 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -36.82 29.56 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 124.855 1.262 . . . . 10.0 113.756 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -26.13 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.418 1.487 . . . . 10.0 110.573 170.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.5 -38.49 34.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 10.0 110.891 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -39.04 87.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.177 -0.952 . . . . 10.0 112.036 172.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.81 -57.16 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 125.69 1.596 . . . . 10.0 107.788 169.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -35.58 79.35 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.519 1.128 . . . . 10.0 112.691 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.08 36.23 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 120.614 -1.304 . . . . 10.0 112.605 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.305 3.4 t-80 -73.63 -20.4 60.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.255 1.022 . . . . 10.0 110.447 169.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.87 -42.68 38.93 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 120.388 -1.445 . . . . 10.0 109.582 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.03 -39.71 90.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 120.016 1.28 . . . . 10.0 111.093 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -63.73 -24.31 67.72 Favored 'General case' 0 C--O 1.225 -0.21 0 O-C-N 121.204 -0.935 . . . . 10.0 110.247 168.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.3 tp -78.06 -43.01 30.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.675 -1.155 . . . . 10.0 113.732 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.5 m -60.68 -42.42 91.87 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 120.775 1.625 . . . . 10.0 110.293 169.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -67.44 -35.47 79.3 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 116.371 -1.776 . . . . 10.0 109.668 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.47 81.25 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.38 1.9 . . . . 10.0 111.122 171.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -63.57 -45.14 91.8 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.171 0.896 . . . . 10.0 110.499 169.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -29.4 70.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.101 2.161 . . . . 10.0 112.691 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -39.83 37.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.839 2.056 . . . . 10.0 109.586 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.8 -37.1 85.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.935 -0.555 . . . . 10.0 110.851 169.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -65.38 -32.29 73.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 119.589 -1.944 . . . . 10.0 112.633 171.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 38.1 t70 -70.51 -22.78 62.6 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.595 1.158 . . . . 10.0 112.399 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.35 -33.34 37.4 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.535 -1.353 . . . . 10.0 112.204 168.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -66.18 -39.47 89.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.378 -1.451 . . . . 10.0 109.509 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . 1.4 tptm -61.1 -19.86 61.95 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.195 1.398 . . . . 10.0 112.257 169.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.94 -45.79 13.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 171.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.347 3.5 p -65.36 -19.51 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 120.895 -1.128 . . . . 10.0 111.402 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.6 -48.94 75.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.282 1.433 . . . . 10.0 111.163 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.5 m -87.76 -37.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.422 1.489 . . . . 10.0 113.888 -169.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.01 76.51 7.19 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.518 0.727 . . . . 10.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.8 Cg_endo -61.66 54.78 0.11 Allowed 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.914 5.076 . . . . 10.0 117.664 -175.311 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -75.44 150.44 38.27 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 120.342 -1.474 . . . . 10.0 108.441 167.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.7 t70 -55.72 -27.48 50.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.701 0.762 . . . . 10.0 112.808 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.09 -42.26 95.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 CA-C-O 116.195 -1.859 . . . . 10.0 114.661 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -69.26 -23.42 63.85 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 122.826 2.557 . . . . 10.0 109.785 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 12.3 mttt -79.31 -39.64 32.35 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.224 1.41 . . . . 10.0 111.293 171.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 t -69.34 -31.86 70.57 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.464 -1.398 . . . . 10.0 114.095 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -65.29 -30.65 71.54 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 129.344 3.058 . . . . 10.0 108.156 168.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.29 -52.47 47.15 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 118.675 -1.21 . . . . 10.0 109.8 167.403 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -56.53 -24.93 50.08 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.177 1.391 . . . . 10.0 113.892 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 129.527 3.131 . . . . 10.0 114.062 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -66.45 -39.39 88.83 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.842 -1.161 . . . . 10.0 111.22 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -62.11 -31.37 71.82 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.308 2.643 . . . . 10.0 111.861 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.01 70.37 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 118.211 -0.899 . . . . 10.0 111.746 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.94 76.85 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 120.679 1.581 . . . . 10.0 110.32 168.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.44 -37.46 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.75 1.614 . . . . 10.0 110.064 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -69.25 -39.21 78.62 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.047 1.294 . . . . 10.0 114.167 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 m -54.13 -54.96 32.47 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.311 1.444 . . . . 10.0 110.642 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.47 -43.85 97.82 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 129.273 3.029 . . . . 10.0 111.106 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.58 -42.69 74.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.471 1.509 . . . . 10.0 110.803 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.4 m -57.69 -49.3 76.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.069 0.948 . . . . 10.0 110.198 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -53.25 -60.31 3.46 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 116.643 -1.646 . . . . 10.0 108.841 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.02 -29.84 71.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 121.375 1.898 . . . . 10.0 114.621 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.27 60.28 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.883 1.674 . . . . 10.0 111.133 169.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.87 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 117.976 0.888 . . . . 10.0 113.337 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.1 tp -72.1 -51.75 20.04 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 130.422 3.489 . . . . 10.0 110.214 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.554 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -61.51 -30.33 70.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.45 1.1 . . . . 10.0 110.352 173.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -34.93 61.88 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.156 1.382 . . . . 10.0 113.577 169.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -58.61 -43.33 89.59 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 120.408 1.458 . . . . 10.0 107.67 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.56 -52.33 66.1 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 117.27 -1.348 . . . . 10.0 112.709 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 121.563 1.983 . . . . 10.0 114.238 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -45.01 17.94 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.49 1.116 . . . . 10.0 113.598 168.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -54.62 -52.96 60.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.11 2.564 . . . . 10.0 112.548 174.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.1 t -66.76 -43.61 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 C-N-CA 126.727 2.011 . . . . 10.0 107.865 -169.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.89 5.43 0.48 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.892 2.077 . . . . 10.0 115.17 171.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.12 -21.47 4.64 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.543 2.337 . . . . 10.0 113.101 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.41 64.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.823 1.249 . . . . 10.0 111.424 169.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -70.7 -16.83 62.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 129.138 2.975 . . . . 10.0 114.877 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.057 1.743 . . . . 10.0 113.069 -169.283 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.562 0.22 . . . . 10.0 111.432 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -74.18 -2.48 24.91 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.746 1.758 . . . . 10.0 115.746 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -146.05 156.71 43.65 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.378 1.471 . . . . 10.0 112.513 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -68.13 -19.69 64.84 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -58.96 133.74 56.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.579 1.152 . . . . 10.0 112.697 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -158.99 172.33 18.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.91 2.084 . . . . 10.0 110.253 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -145.46 -35.22 0.31 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.28 40.8 92.41 Favored Glycine 0 CA--C 1.539 1.532 0 CA-C-N 119.28 0.945 . . . . 10.0 114.525 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -53.06 143.74 30.96 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 125.718 1.607 . . . . 10.0 113.832 -172.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.53 170.43 18.54 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 123.681 2.921 . . . . 10.0 112.584 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -121.22 138.06 27.56 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.615 1.566 . . . . 10.0 108.962 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.96 164.77 34.56 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.807 3.671 . . . . 10.0 113.411 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -147.49 163.35 28.24 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.816 1.646 . . . . 10.0 110.338 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.14 -8.52 18.8 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 122.869 2.379 . . . . 10.0 115.578 -170.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.5 mt 53.98 -168.3 0.07 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.484 1.913 . . . . 10.0 114.281 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.51 -53.56 0.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.394 1.477 . . . . 10.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.02 165.76 31.8 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.65 1.119 . . . . 10.0 113.59 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 tp -156.52 144.88 19.79 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.154 1.382 . . . . 10.0 111.251 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.67 -20.22 65.93 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -61.6 -65.01 0.76 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.032 0.933 . . . . 10.0 111.441 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -63.33 -24.18 67.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.555 1.142 . . . . 10.0 113.373 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.91 -42.44 90.18 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.152 -0.967 . . . . 10.0 112.946 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -158.47 -39.88 0.06 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.08 -4.19 40.07 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.592 1.331 . . . . 10.0 114.592 -169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -57.7 -19.88 30.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -147.86 144.99 28.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.338 1.055 . . . . 10.0 112.332 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -146.23 155.12 42.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.855 2.062 . . . . 10.0 109.449 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.65 2.5 0.03 OUTLIER Glycine 0 CA--C 1.537 1.463 0 N-CA-C 117.705 1.842 . . . . 10.0 117.705 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.88 151.84 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 119.618 1.709 . . . . 10.0 112.599 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.96 150.33 97.82 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.258 0.623 . . . . 10.0 112.235 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.01 142.98 32.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.247 2.631 . . . . 10.0 113.399 170.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 57.19 18.73 4.37 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.847 1.795 . . . . 10.0 115.847 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -55.85 -36.84 68.0 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.388 25.0 ttt -92.18 -10.88 37.11 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.186 1.18 . . . . 10.0 114.186 173.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 m -68.33 -37.49 80.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.076 -1.64 . . . . 10.0 106.704 166.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -36.73 82.3 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.535 1.534 . . . . 10.0 111.765 168.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 1.6 mm? -56.82 -51.45 68.91 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.54 1.518 . . . . 10.0 109.813 169.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.65 -34.31 77.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.145 -170.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.33 -46.64 72.86 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.363 2.265 . . . . 10.0 112.988 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -36.61 33.99 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 119.699 1.136 . . . . 10.0 112.583 -172.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -65.85 -26.74 67.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.831 1.653 . . . . 10.0 110.757 170.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.0 -38.09 37.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.068 1.347 . . . . 10.0 111.462 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.51 -42.73 96.97 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.824 1.25 . . . . 10.0 111.029 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.76 -58.05 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 125.947 1.699 . . . . 10.0 108.649 169.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -38.86 78.65 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.912 0.485 . . . . 10.0 111.914 -172.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -39.83 70.82 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.379 0.99 . . . . 10.0 112.295 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.371 2.8 t60 -72.79 -20.01 61.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.445 1.498 . . . . 10.0 111.797 170.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.93 -40.99 37.85 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 119.931 -1.731 . . . . 10.0 109.307 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -37.75 86.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.419 1.463 . . . . 10.0 111.344 174.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.41 -23.45 66.31 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 121.004 -1.06 . . . . 10.0 110.264 168.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.82 -43.02 31.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 117.647 -1.168 . . . . 10.0 113.573 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m -60.59 -41.22 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 120.682 1.583 . . . . 10.0 110.205 169.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -67.73 -40.16 84.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 115.99 -1.957 . . . . 10.0 109.004 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.64 74.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 122.114 2.233 . . . . 10.0 111.484 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.4 mmm180 -61.97 -46.76 87.84 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.774 0.715 . . . . 10.0 110.531 169.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.98 -32.91 74.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.987 2.115 . . . . 10.0 113.154 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.77 -39.93 63.82 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 125.543 1.537 . . . . 10.0 109.422 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 77' ' ' LEU 0.463 0.0 OUTLIER -67.95 -33.07 73.96 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.326 -0.845 . . . . 10.0 111.566 172.187 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.85 73.77 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.798 -1.814 . . . . 10.0 113.34 169.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.3 -25.46 62.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.84 1.256 . . . . 10.0 112.231 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.75 37.84 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.711 -1.243 . . . . 10.0 111.81 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.36 -38.25 84.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.167 -1.583 . . . . 10.0 109.346 169.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.0 tptt -56.53 -36.64 69.45 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.794 0.838 . . . . 10.0 110.355 169.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.22 -39.53 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.312 3.3 p -76.13 -22.12 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-N 118.88 0.764 . . . . 10.0 112.487 169.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.06 -37.61 88.07 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 119.997 -1.689 . . . . 10.0 111.791 168.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.6 p -111.3 -24.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 117.508 2.41 . . . . 10.0 117.508 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -150.87 71.71 8.75 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.55 0.74 . . . . 10.0 112.137 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.275 4.8 Cg_endo -59.37 51.47 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.128 1 C-N-CA 127.609 5.539 . . . . 10.0 118.986 -173.608 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.9 m-20 -73.58 149.14 42.32 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.857 -1.777 . . . . 10.0 108.91 167.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.48 -23.08 47.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.73 -45.69 87.48 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 CA-C-O 116.422 -1.752 . . . . 10.0 113.326 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -64.85 -24.64 67.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.041 2.655 . . . . 10.0 110.59 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -79.1 -29.35 43.23 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.906 1.683 . . . . 10.0 112.981 171.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.7 m -80.36 -39.53 28.33 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.049 1.739 . . . . 10.0 113.876 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.2 m -57.94 -29.64 65.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 130.519 3.528 . . . . 10.0 108.04 167.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.5 -54.1 41.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 118.933 -1.107 . . . . 10.0 111.336 168.112 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -59.27 -26.09 64.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 125.979 1.712 . . . . 10.0 112.746 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.67 -45.7 57.59 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.15 2.58 . . . . 10.0 113.128 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.48 -41.19 80.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.766 1.27 . . . . 10.0 111.887 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -64.21 -28.14 69.54 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.402 2.681 . . . . 10.0 111.685 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.38 -32.71 64.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.163 0.985 . . . . 10.0 111.327 169.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.78 75.19 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.011 1.278 . . . . 10.0 109.053 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 58' ' ' LEU . 43.5 t -51.54 -39.75 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.983 1.719 . . . . 10.0 110.721 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -68.32 -38.47 81.61 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.086 1.312 . . . . 10.0 113.824 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.9 m -54.92 -54.73 38.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.272 1.429 . . . . 10.0 110.557 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.97 -44.16 96.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 129.44 3.096 . . . . 10.0 111.196 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.29 -43.46 73.81 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.879 1.672 . . . . 10.0 110.597 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -58.27 -49.42 77.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.885 0.874 . . . . 10.0 110.364 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -53.22 -60.26 3.52 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 116.96 -1.495 . . . . 10.0 108.962 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.564 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.9 mm? -62.98 -28.95 70.44 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 121.231 1.832 . . . . 10.0 114.842 -171.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.3 -50.7 54.85 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 120.761 1.619 . . . . 10.0 110.747 168.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -31.58 72.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.349 1.075 . . . . 10.0 113.751 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -74.83 -52.27 11.81 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 129.944 3.298 . . . . 10.0 109.696 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.4 mttm -61.37 -31.02 70.91 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.23 1.012 . . . . 10.0 110.497 174.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -35.22 61.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.963 1.305 . . . . 10.0 113.591 169.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.07 -43.49 82.16 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.775 1.625 . . . . 10.0 107.835 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.72 -52.11 67.09 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.574 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -24.54 51.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.341 1.882 . . . . 10.0 114.476 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.63 -44.96 18.03 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.601 1.091 . . . . 10.0 113.668 169.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -55.15 -53.56 54.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.044 2.537 . . . . 10.0 112.585 174.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.58 -43.4 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 126.695 1.998 . . . . 10.0 107.775 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 7.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.109 2.164 . . . . 10.0 115.305 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.74 -20.43 3.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.399 2.279 . . . . 10.0 112.813 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -27.65 67.19 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.315 1.046 . . . . 10.0 111.488 169.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -70.23 -28.66 65.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.508 2.723 . . . . 10.0 114.457 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.251 1.82 . . . . 10.0 112.987 -170.255 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.345 0.117 . . . . 10.0 110.711 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -137.93 165.28 26.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.349 1.46 . . . . 10.0 111.686 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -140.37 166.0 25.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.198 1.399 . . . . 10.0 112.002 -174.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -150.13 177.56 9.79 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.584 1.554 . . . . 10.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -137.75 152.09 48.84 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.956 1.302 . . . . 10.0 111.877 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -142.55 156.7 45.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.822 1.249 . . . . 10.0 111.485 -171.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -141.85 171.48 14.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.068 1.347 . . . . 10.0 112.15 -170.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.78 173.22 50.21 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.537 1.065 . . . . 10.0 115.307 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -63.67 155.24 77.3 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.991 1.716 . . . . 10.0 113.4 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.87 169.26 15.11 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.559 2.839 . . . . 10.0 113.276 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.46 158.66 28.33 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 125.102 1.361 . . . . 10.0 113.656 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.96 162.58 1.03 Allowed 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.572 4.181 . . . . 10.0 115.79 173.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -144.68 158.04 54.14 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.829 1.651 . . . . 10.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.73 177.32 7.05 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.41 2.74 . . . . 10.0 112.022 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.02 -29.87 68.78 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.525 1.306 . . . . 10.0 114.525 -175.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt 49.12 40.8 18.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.626 1.571 . . . . 10.0 113.364 -174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.63 174.54 33.66 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.471 1.51 . . . . 10.0 113.26 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 tp -148.05 152.8 38.01 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.558 1.543 . . . . 10.0 110.978 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.89 119.16 3.98 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.978 1.311 . . . . 10.0 112.69 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -146.93 160.83 41.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.836 1.654 . . . . 10.0 111.707 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -150.71 160.25 43.97 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.821 1.248 . . . . 10.0 111.367 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -144.78 155.99 43.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.88 1.672 . . . . 10.0 111.27 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -151.42 166.55 30.73 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.266 1.426 . . . . 10.0 110.943 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.39 136.94 47.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.615 1.566 . . . . 10.0 110.565 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -147.97 17.14 1.1 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.809 1.644 . . . . 10.0 112.326 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -148.54 167.54 25.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.474 1.91 . . . . 10.0 111.465 -170.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -154.32 -179.67 8.15 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.592 1.557 . . . . 10.0 111.669 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.33 176.63 28.86 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.932 1.253 . . . . 10.0 113.156 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.0 tt -156.39 163.47 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.966 1.706 . . . . 10.0 110.381 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.72 142.42 42.02 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.087 1.355 . . . . 10.0 110.247 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.51 -36.41 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.754 1.636 . . . . 10.0 114.322 -169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -55.16 -43.94 74.7 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -61.28 -39.05 88.98 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.781 -0.575 . . . . 10.0 111.982 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.392 28.3 ttt -85.27 -16.19 40.95 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.451 1.278 . . . . 10.0 114.451 175.295 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.7 m -66.11 -40.12 90.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.809 -1.807 . . . . 10.0 107.546 167.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -35.94 82.62 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.849 1.26 . . . . 10.0 112.396 169.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.4 mm? -57.68 -50.13 74.2 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.798 1.635 . . . . 10.0 109.973 169.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.81 -28.56 67.69 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.247 -0.581 . . . . 10.0 111.602 -169.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.73 -46.98 50.75 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.62 2.768 . . . . 10.0 113.295 169.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 -36.75 24.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 124.56 1.144 . . . . 10.0 113.899 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -26.07 67.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.61 1.564 . . . . 10.0 110.341 169.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.3 -38.78 34.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.512 1.125 . . . . 10.0 110.887 168.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.67 -42.47 92.93 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.779 0.832 . . . . 10.0 111.651 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.476 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.51 -56.98 2.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 C-N-CA 125.809 1.643 . . . . 10.0 108.448 169.678 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -38.86 82.69 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.97 0.908 . . . . 10.0 112.331 -173.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.9 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.983 -1.073 . . . . 10.0 112.265 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.298 2.1 t-80 -71.42 -19.5 62.24 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.785 1.634 . . . . 10.0 110.651 169.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.78 -41.74 29.72 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.088 -1.632 . . . . 10.0 109.153 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.27 -38.62 88.23 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.272 1.396 . . . . 10.0 111.432 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -70.96 -19.11 62.59 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 120.882 -1.136 . . . . 10.0 110.746 168.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 16.6 tp -74.09 -42.61 59.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 120.42 1.463 . . . . 10.0 112.698 169.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.8 m -61.13 -42.56 93.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 120.21 1.368 . . . . 10.0 110.407 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -66.1 -38.9 89.36 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 116.135 -1.888 . . . . 10.0 109.324 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.05 77.96 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 122.226 2.284 . . . . 10.0 111.32 173.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.1 mmm180 -62.9 -42.3 99.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.985 0.811 . . . . 10.0 110.765 169.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.597 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.93 -34.18 73.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.294 2.237 . . . . 10.0 113.475 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -72.35 -38.64 68.54 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.949 1.7 . . . . 10.0 109.046 172.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.37 0.2 OUTLIER -66.8 -36.75 83.11 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.43 172.004 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.11 -31.5 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 119.967 -1.708 . . . . 10.0 112.658 171.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.51 -24.07 62.77 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.697 1.199 . . . . 10.0 112.441 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.46 40.29 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.815 -1.178 . . . . 10.0 112.237 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.62 -39.91 88.55 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.308 -1.495 . . . . 10.0 109.704 169.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -61.05 -19.82 61.84 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 125.427 1.491 . . . . 10.0 112.222 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -83.13 -45.6 13.76 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.03 1.493 . . . . 10.0 115.03 171.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.5 p -65.64 -19.65 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 120.888 -1.133 . . . . 10.0 111.424 169.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.07 -48.48 78.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.382 1.473 . . . . 10.0 111.21 167.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 22.5 m -88.92 -37.47 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.5 1.52 . . . . 10.0 113.92 -169.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -151.93 76.54 7.24 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 10.0 111.647 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.264 7.5 Cg_endo -61.57 51.71 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.087 1 C-N-CA 126.983 5.122 . . . . 10.0 117.819 -175.808 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.7 m-20 -73.46 149.84 42.08 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.178 -1.576 . . . . 10.0 108.209 167.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.1 m-20 -57.73 -22.5 46.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.76 -41.89 88.57 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 CA-C-O 116.164 -1.874 . . . . 10.0 114.507 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -69.97 -25.13 63.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.789 2.541 . . . . 10.0 109.765 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.9 mttt -76.5 -41.98 45.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.417 1.487 . . . . 10.0 111.078 169.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -66.5 -32.58 74.02 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.97 1.367 . . . . 10.0 114.182 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 m -66.81 -29.72 69.73 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 130.167 3.387 . . . . 10.0 108.954 169.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -66.23 -50.8 62.57 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.51 -1.276 . . . . 10.0 109.545 167.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -57.97 -26.98 63.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 10.0 113.73 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -74.4 -45.06 49.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.763 2.425 . . . . 10.0 113.557 170.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -68.06 -38.52 82.52 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.866 -1.146 . . . . 10.0 111.475 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.377 2.671 . . . . 10.0 111.816 169.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.23 68.03 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.163 0.985 . . . . 10.0 111.626 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.92 -48.75 67.69 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 119.937 1.244 . . . . 10.0 109.57 168.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.14 -39.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 121.155 1.798 . . . . 10.0 110.281 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.58 -36.98 81.94 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.15 1.341 . . . . 10.0 113.914 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -57.53 -56.13 25.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.39 1.476 . . . . 10.0 110.718 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.3 mm? -60.65 -42.13 96.38 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.59 3.156 . . . . 10.0 110.447 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.04 -43.76 64.44 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.319 1.848 . . . . 10.0 111.335 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.8 m -57.97 -48.2 80.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.507 0.723 . . . . 10.0 110.129 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -54.68 -60.29 3.56 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 116.391 -1.766 . . . . 10.0 109.029 172.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -62.92 -29.29 70.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 121.695 2.043 . . . . 10.0 114.635 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.08 -51.9 49.14 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 120.396 1.453 . . . . 10.0 110.355 169.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -32.56 73.99 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.905 1.353 . . . . 10.0 114.126 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.4 tp -72.2 -51.49 20.89 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 129.439 3.096 . . . . 10.0 109.36 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.5 mttm -62.33 -30.97 71.55 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.102 0.961 . . . . 10.0 110.574 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.6 59.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.797 1.239 . . . . 10.0 113.631 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.92 -45.09 96.05 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 120.508 1.504 . . . . 10.0 107.078 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.73 -50.68 71.5 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 117.423 -1.275 . . . . 10.0 112.439 173.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -25.35 60.46 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 121.224 1.829 . . . . 10.0 114.772 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.6 -43.82 19.93 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.491 1.041 . . . . 10.0 113.676 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -53.37 55.76 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 128.233 2.613 . . . . 10.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 40.8 t -66.92 -45.33 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 126.822 2.049 . . . . 10.0 107.921 -169.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 0.47 0.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.738 2.015 . . . . 10.0 115.138 171.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.81 -19.87 7.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.051 2.14 . . . . 10.0 113.401 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.87 -25.8 65.35 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.04 1.336 . . . . 10.0 111.269 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -75.17 -12.76 60.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.253 3.021 . . . . 10.0 114.756 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.875 1.67 . . . . 10.0 113.61 -169.365 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.198 -0.43 . . . . 10.0 110.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -63.97 155.27 31.51 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.79 0.836 . . . . 10.0 112.046 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -153.06 -46.17 0.1 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.961 0.904 . . . . 10.0 113.347 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -153.82 152.42 30.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.208 1.403 . . . . 10.0 110.999 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -143.04 150.48 39.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 10.0 111.645 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.06 143.73 57.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.186 0.994 . . . . 10.0 112.446 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -143.72 163.0 34.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.872 1.669 . . . . 10.0 111.716 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -172.86 49.26 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.015 1.293 . . . . 10.0 114.845 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -136.36 153.45 76.35 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 126.296 1.839 . . . . 10.0 111.943 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.96 170.27 17.22 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.663 2.909 . . . . 10.0 113.293 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -145.08 143.29 20.06 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.751 1.62 . . . . 10.0 111.246 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.29 163.57 1.59 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.991 3.794 . . . . 10.0 115.58 172.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -144.08 141.57 18.6 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.493 1.517 . . . . 10.0 110.316 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -70.92 172.04 14.55 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.118 2.545 . . . . 10.0 113.001 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.6 mt -125.45 4.73 7.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.583 1.553 . . . . 10.0 113.285 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -152.43 177.46 10.58 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.793 2.037 . . . . 10.0 111.235 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.91 -17.53 0.05 OUTLIER Glycine 0 CA--C 1.537 1.429 0 N-CA-C 117.09 1.596 . . . . 10.0 117.09 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -147.26 173.03 12.94 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.285 1.543 . . . . 10.0 113.536 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.48 160.92 43.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.634 1.974 . . . . 10.0 110.387 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p -147.79 160.37 42.81 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.322 1.049 . . . . 10.0 113.738 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.5 p -142.1 16.57 2.09 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.58 1.552 . . . . 10.0 113.502 -172.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.71 140.73 50.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.194 1.398 . . . . 10.0 113.745 -175.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -150.98 149.25 29.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.904 1.682 . . . . 10.0 110.561 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -145.51 157.2 44.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.969 1.708 . . . . 10.0 111.789 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -143.09 152.92 42.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.648 1.579 . . . . 10.0 111.519 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -145.88 -9.17 0.54 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.895 1.278 . . . . 10.0 114.055 -170.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -64.77 -16.15 62.61 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.101 2.16 . . . . 10.0 116.37 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.33 30.26 0.63 Allowed Glycine 0 N--CA 1.474 1.226 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 -170.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.8 pt -123.45 -6.29 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' H ' ' HD2' ' A' ' 31' ' ' PRO . 28.0 t70 -158.23 -41.62 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 116.027 1.862 . . . . 10.0 116.027 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HD2' ' H ' ' A' ' 30' ' ' ASP . 10.3 Cg_endo -46.24 -20.38 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.087 4.525 . . . . 10.0 117.961 169.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.68 -33.77 56.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 -174.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 t -60.43 -32.37 71.3 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.212 -0.93 . . . . 10.0 113.1 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.433 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.37 24.7 ttt -91.81 -16.47 26.75 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.824 1.046 . . . . 10.0 113.824 170.468 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -62.41 -38.04 88.14 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.145 -1.597 . . . . 10.0 107.653 166.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.542 1.537 . . . . 10.0 112.292 168.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.0 mm? -56.32 -50.12 72.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.652 1.569 . . . . 10.0 110.082 169.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.01 -38.04 87.43 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.705 -0.398 . . . . 10.0 110.748 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.66 -48.46 77.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.767 2.027 . . . . 10.0 112.768 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -36.06 34.45 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.431 1.014 . . . . 10.0 112.842 -171.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -66.68 -26.44 67.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.652 1.581 . . . . 10.0 110.951 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.55 -37.72 35.8 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.562 1.145 . . . . 10.0 111.073 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.52 -43.69 93.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.944 1.297 . . . . 10.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.5 -57.67 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 125.798 1.639 . . . . 10.0 108.366 169.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -39.15 85.11 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.982 0.913 . . . . 10.0 112.405 -172.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.22 64.66 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.071 -1.018 . . . . 10.0 112.017 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.385 3.2 t60 -71.61 -19.3 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.806 1.642 . . . . 10.0 112.004 170.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.43 -41.34 27.85 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.31 -1.494 . . . . 10.0 109.525 168.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.51 -37.69 85.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.466 1.485 . . . . 10.0 111.379 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.54 -22.78 66.74 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.086 -1.009 . . . . 10.0 110.068 168.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.4 tp -80.12 -43.15 22.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 117.521 -1.228 . . . . 10.0 113.115 174.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.4 m -59.98 -42.05 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 CA-C-N 120.604 1.547 . . . . 10.0 109.882 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 m -67.02 -39.49 87.07 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.901 -1.999 . . . . 10.0 109.122 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.73 76.43 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 122.301 2.319 . . . . 10.0 111.576 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -63.14 -42.48 99.49 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.982 0.81 . . . . 10.0 110.785 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.31 -34.12 74.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.224 2.21 . . . . 10.0 113.242 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.04 -38.74 69.47 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 125.894 1.677 . . . . 10.0 109.146 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.2 OUTLIER -66.97 -37.07 83.57 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.979 -0.534 . . . . 10.0 111.441 171.692 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.31 -30.51 71.37 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.846 -1.784 . . . . 10.0 112.658 171.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.33 -24.94 62.21 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.626 1.171 . . . . 10.0 112.298 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.77 48.74 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.544 -1.347 . . . . 10.0 112.082 169.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.2 -38.51 85.45 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.52 -1.362 . . . . 10.0 109.997 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.49 -21.79 62.8 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 117.791 -1.1 . . . . 10.0 112.216 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.87 -46.0 14.71 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.251 1.574 . . . . 10.0 115.251 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p -65.38 -19.78 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 120.915 -1.116 . . . . 10.0 111.477 169.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -47.57 81.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.561 1.544 . . . . 10.0 111.525 168.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.4 m -89.72 -37.62 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.376 1.47 . . . . 10.0 113.867 -169.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -152.09 77.74 6.77 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.602 0.761 . . . . 10.0 111.072 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.272 6.2 Cg_endo -60.92 53.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 126.987 5.125 . . . . 10.0 117.653 -176.35 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 74.4 m-20 -73.67 148.26 42.93 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 120.271 -1.518 . . . . 10.0 108.309 167.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.2 m-20 -57.13 -25.82 59.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.17 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-O 116.275 -1.821 . . . . 10.0 114.842 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.22 -24.41 64.02 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 122.609 2.459 . . . . 10.0 109.623 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -77.59 -42.91 33.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.37 1.468 . . . . 10.0 111.222 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.0 m -65.74 -32.81 74.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.464 -1.398 . . . . 10.0 114.46 171.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 m -65.63 -29.82 70.45 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 129.647 3.179 . . . . 10.0 108.875 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.05 -50.93 62.45 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 118.522 -1.271 . . . . 10.0 109.761 167.342 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -58.42 -26.7 63.57 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.477 1.111 . . . . 10.0 113.746 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.18 -45.04 50.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.089 2.555 . . . . 10.0 113.526 170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.36 -39.47 81.81 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.947 -1.096 . . . . 10.0 111.548 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.43 -30.75 71.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.421 2.689 . . . . 10.0 111.947 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.67 71.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.993 0.917 . . . . 10.0 111.484 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.22 74.17 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 120.372 1.442 . . . . 10.0 110.075 168.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.74 -37.11 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.146 1.794 . . . . 10.0 110.19 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -69.08 -39.06 79.28 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.177 1.353 . . . . 10.0 113.946 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -54.72 -54.64 39.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.203 1.401 . . . . 10.0 110.436 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.32 -42.83 99.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.961 2.904 . . . . 10.0 110.697 -175.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.2 -43.27 71.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.723 1.609 . . . . 10.0 111.068 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 -48.77 79.23 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.11 0.964 . . . . 10.0 110.069 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -54.04 -60.34 3.45 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-O 116.968 -1.492 . . . . 10.0 108.985 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.18 -26.83 68.99 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 121.895 2.134 . . . . 10.0 114.851 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.41 -49.96 47.63 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 120.915 1.689 . . . . 10.0 110.842 168.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.61 75.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.237 1.019 . . . . 10.0 113.588 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -73.58 -53.19 11.09 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 130.84 3.656 . . . . 10.0 110.2 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.582 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.2 mttm -61.45 -28.88 69.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.888 0.875 . . . . 10.0 110.52 174.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.93 60.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.228 1.411 . . . . 10.0 113.414 169.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -55.67 -44.37 77.23 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 120.485 1.493 . . . . 10.0 107.71 169.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.8 -52.73 64.45 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 117.389 -1.291 . . . . 10.0 112.936 172.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.96 53.32 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 121.285 1.857 . . . . 10.0 114.253 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.68 -45.08 17.75 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.522 1.129 . . . . 10.0 113.851 169.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.06 -53.4 53.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.273 2.629 . . . . 10.0 112.384 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.2 -45.28 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 126.778 2.031 . . . . 10.0 107.878 -169.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 3.31 0.66 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.929 2.091 . . . . 10.0 115.152 171.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.84 -22.94 5.16 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.24 2.216 . . . . 10.0 113.216 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -27.98 62.24 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.014 1.326 . . . . 10.0 111.63 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.35 -23.51 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.87 2.868 . . . . 10.0 114.797 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.206 1.802 . . . . 10.0 113.2 -169.62 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -149.67 167.41 26.48 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.02 1.328 . . . . 10.0 111.443 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -64.37 -17.95 64.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.225 1.41 . . . . 10.0 114.602 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -150.06 169.69 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.847 1.659 . . . . 10.0 110.742 176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -148.86 164.03 35.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.111 1.364 . . . . 10.0 112.513 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -64.88 162.44 16.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.384 1.074 . . . . 10.0 113.496 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -65.29 162.02 18.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 10.0 113.054 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.49 174.6 47.07 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.403 1.478 . . . . 10.0 112.53 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -140.39 146.39 45.23 Favored Pre-proline 0 N--CA 1.48 1.073 0 C-N-CA 125.522 1.529 . . . . 10.0 111.806 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.55 171.27 18.55 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.601 2.867 . . . . 10.0 112.474 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -147.09 139.02 13.68 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 125.38 1.472 . . . . 10.0 110.554 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -52.37 141.23 51.26 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 124.261 3.307 . . . . 10.0 114.121 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -154.46 133.44 7.22 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.058 1.343 . . . . 10.0 110.558 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -81.11 138.24 11.21 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.22 2.614 . . . . 10.0 112.846 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.78 -46.15 0.4 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.846 1.258 . . . . 10.0 111.993 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -144.12 167.74 21.67 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.43 1.892 . . . . 10.0 111.139 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.34 175.03 46.71 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.866 1.222 . . . . 10.0 113.143 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 tp -150.98 145.49 25.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.281 1.433 . . . . 10.0 110.939 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -150.37 167.72 26.23 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.718 1.607 . . . . 10.0 111.793 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -59.6 150.8 26.26 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.133 1.373 . . . . 10.0 114.506 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 p -139.48 172.51 12.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.964 1.706 . . . . 10.0 111.671 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.29 -0.72 7.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.008 1.723 . . . . 10.0 113.811 -174.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 46.07 42.18 9.31 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.952 2.101 . . . . 10.0 114.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.73 -0.6 2.23 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -73.69 35.58 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 127.806 2.442 . . . . 10.0 114.126 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -55.51 141.31 37.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.404 1.482 . . . . 10.0 112.683 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.62 141.91 58.61 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.137 0.975 . . . . 10.0 112.836 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.05 153.48 8.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.599 1.571 . . . . 10.0 112.39 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -34.91 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -155.23 152.37 24.84 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.298 1.839 . . . . 10.0 110.661 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.54 -0.96 10.75 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 123.823 3.016 . . . . 10.0 114.514 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -119.67 18.98 12.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.728 1.611 . . . . 10.0 114.22 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -51.6 -38.94 56.86 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.404 27.0 ttt -87.14 -13.83 42.99 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.511 1.3 . . . . 10.0 114.511 175.008 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.7 m -67.61 -38.1 83.46 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.92 -1.738 . . . . 10.0 107.466 166.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -36.47 83.27 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.009 1.324 . . . . 10.0 111.891 168.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.3 mm? -56.83 -51.13 70.19 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.542 1.519 . . . . 10.0 109.991 169.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.16 -33.43 75.76 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.127 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.66 -48.52 66.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.189 2.196 . . . . 10.0 112.942 169.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -35.5 36.28 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.42 1.009 . . . . 10.0 112.555 -171.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -25.97 66.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.738 1.615 . . . . 10.0 110.706 171.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.11 -37.69 33.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.905 1.282 . . . . 10.0 111.319 168.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.68 -42.4 97.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.658 1.183 . . . . 10.0 111.47 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.503 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -49.98 -56.65 3.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 126.145 1.778 . . . . 10.0 107.853 169.221 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -66.72 -38.82 87.46 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.139 0.976 . . . . 10.0 112.328 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.41 -40.02 58.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.6 1.091 . . . . 10.0 112.677 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.508 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.303 2.6 t-80 -71.36 -19.97 62.22 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.81 1.244 . . . . 10.0 110.625 169.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 52' ' ' VAL . 8.2 mt-10 -76.7 -44.44 33.5 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 120.348 -1.47 . . . . 10.0 109.529 168.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -66.66 -37.44 84.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.797 1.635 . . . . 10.0 111.445 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.03 -26.42 68.26 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 121.278 -0.889 . . . . 10.0 110.225 168.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 87' ' ' LEU . 11.3 tp -73.17 -50.87 20.18 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.105 -0.95 . . . . 10.0 112.938 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 48' ' ' GLU . 1.4 m -58.38 -37.98 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 120.398 1.453 . . . . 10.0 110.306 173.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.1 m -68.52 -42.37 78.62 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 115.864 -2.017 . . . . 10.0 109.664 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.97 65.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.236 2.289 . . . . 10.0 111.25 171.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.27 -39.05 75.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.243 0.617 . . . . 10.0 112.368 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.592 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.1 -32.54 72.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.772 2.029 . . . . 10.0 112.827 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.32 -38.92 68.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.604 1.562 . . . . 10.0 109.301 172.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -67.15 -35.99 80.89 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.577 -0.725 . . . . 10.0 111.785 170.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -64.82 -31.25 72.39 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 119.911 -1.743 . . . . 10.0 112.402 171.495 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.47 -24.02 62.79 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.67 1.188 . . . . 10.0 112.337 169.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.17 -33.44 38.37 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.637 -1.29 . . . . 10.0 112.182 169.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -66.46 -38.39 87.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.359 -1.463 . . . . 10.0 109.858 169.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.34 -22.69 63.54 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.516 1.126 . . . . 10.0 112.106 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.91 -45.97 15.93 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 172.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.335 3.5 p -65.49 -19.74 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.019 -1.051 . . . . 10.0 111.388 169.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.42 -49.07 75.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.302 1.441 . . . . 10.0 111.308 167.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.13 -38.31 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.262 1.425 . . . . 10.0 113.809 -169.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -152.22 78.83 6.36 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 123.415 0.686 . . . . 10.0 110.853 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.9 Cg_endo -60.86 53.51 0.09 OUTLIER 'Trans proline' 0 CA--C 1.545 1.057 1 C-N-CA 127.061 5.174 . . . . 10.0 117.412 -176.655 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.6 m-20 -74.33 148.13 41.61 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 120.335 -1.478 . . . . 10.0 108.433 167.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.8 m-20 -57.86 -22.95 50.67 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -174.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.83 -41.66 88.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 CA-C-O 116.235 -1.84 . . . . 10.0 114.422 169.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -69.91 -25.55 63.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 122.71 2.504 . . . . 10.0 109.592 -175.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.7 mttt -76.4 -41.41 47.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.288 1.435 . . . . 10.0 111.139 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -67.25 -33.77 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.971 1.367 . . . . 10.0 114.228 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.4 m -65.33 -29.48 70.23 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 130.086 3.354 . . . . 10.0 108.847 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.07 -51.36 58.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 118.698 -1.201 . . . . 10.0 109.783 167.485 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.94 -26.4 62.21 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 10.0 113.721 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -74.81 -45.67 41.88 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.959 2.504 . . . . 10.0 113.695 170.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -68.22 -37.89 81.33 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.756 -1.215 . . . . 10.0 111.266 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -62.61 -32.08 73.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.304 2.642 . . . . 10.0 111.85 169.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.51 69.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.394 1.077 . . . . 10.0 111.718 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -48.1 64.96 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 120.065 1.302 . . . . 10.0 109.528 168.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 HD11 ' A' ' 51' ' ' LEU . 69.7 t -54.42 -35.37 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 121.076 1.762 . . . . 10.0 110.188 174.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -69.96 -37.77 75.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.127 1.331 . . . . 10.0 114.292 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.1 m -56.27 -55.79 28.96 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.302 1.441 . . . . 10.0 110.619 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.26 -42.28 98.36 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 129.034 2.934 . . . . 10.0 110.893 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.52 -41.32 72.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.384 1.473 . . . . 10.0 110.892 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -58.07 -49.35 77.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.525 0.73 . . . . 10.0 109.891 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -53.4 -59.98 3.88 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 116.492 -1.718 . . . . 10.0 109.23 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.5 mm? -64.33 -29.47 70.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.615 1.552 . . . . 10.0 114.196 -171.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.56 -48.88 73.81 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 120.438 1.472 . . . . 10.0 110.45 169.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -28.25 67.01 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.715 1.258 . . . . 10.0 114.322 176.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.5 tp -76.35 -48.89 18.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 127.925 2.49 . . . . 10.0 108.706 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 46.2 mttm -65.1 -30.58 71.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.395 1.078 . . . . 10.0 110.692 174.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -38.03 63.84 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 117.616 -1.183 . . . . 10.0 112.771 169.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.76 -48.47 69.68 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.699 -1.593 . . . . 10.0 106.699 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -50.86 69.94 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.781 -1.104 . . . . 10.0 112.002 175.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.85 -27.14 59.85 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.186 1.812 . . . . 10.0 114.961 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.19 -42.77 22.71 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 10.0 113.636 169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.89 -53.46 55.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.12 2.568 . . . . 10.0 112.481 173.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 37' ' ' LEU . 42.2 t -67.29 -44.47 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 127.091 2.156 . . . . 10.0 108.169 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.89 1.52 0.89 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.344 1.858 . . . . 10.0 114.957 171.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.63 -19.91 7.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.182 2.193 . . . . 10.0 113.429 171.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -27.26 65.77 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.452 1.101 . . . . 10.0 111.514 169.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -73.44 -21.57 60.43 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.94 2.896 . . . . 10.0 114.621 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.198 1.799 . . . . 10.0 113.146 -169.75 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.521 0.201 . . . . 10.0 110.852 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -60.86 -34.23 74.29 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.861 1.43 . . . . 10.0 114.861 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 t60 57.66 -23.08 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 129.06 2.944 . . . . 10.0 117.523 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 17.7 t60 -143.39 -161.86 1.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.089 2.156 . . . . 10.0 110.213 -177.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.583 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 71.6 m-70 65.8 1.46 1.82 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.787 2.435 . . . . 10.0 115.342 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.73 -20.08 2.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.398 1.879 . . . . 10.0 112.427 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -154.78 158.09 38.95 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.784 2.034 . . . . 10.0 109.885 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.96 173.7 45.23 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.716 1.151 . . . . 10.0 113.29 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -142.44 150.08 53.37 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 126.355 1.862 . . . . 10.0 111.267 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.02 152.2 62.56 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.023 2.482 . . . . 10.0 112.146 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.65 150.36 93.42 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 124.419 1.087 . . . . 10.0 111.817 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.08 162.44 38.23 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.946 3.764 . . . . 10.0 113.404 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -146.99 133.2 9.58 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.788 1.235 . . . . 10.0 111.022 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.72 179.0 6.93 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.057 3.171 . . . . 10.0 113.21 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.98 140.23 52.79 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 10.0 111.454 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -76.94 174.9 10.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.622 1.569 . . . . 10.0 113.765 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.34 175.47 41.78 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.05 1.309 . . . . 10.0 113.258 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -140.93 170.84 14.97 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.217 1.807 . . . . 10.0 111.515 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -121.95 12.3 10.44 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.798 1.639 . . . . 10.0 112.647 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -152.47 175.27 12.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.181 1.793 . . . . 10.0 111.286 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -64.88 168.85 5.79 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.018 1.327 . . . . 10.0 112.976 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -146.81 165.42 29.74 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.246 1.418 . . . . 10.0 112.794 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -81.13 4.27 20.63 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.186 1.55 . . . . 10.0 115.186 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.9 119.19 6.29 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.83 1.252 . . . . 10.0 111.762 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -72.28 166.23 22.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.161 0.984 . . . . 10.0 112.984 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -60.81 158.83 12.18 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.299 1.44 . . . . 10.0 113.876 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -132.79 16.0 4.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.519 1.528 . . . . 10.0 112.695 -175.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.15 47.85 3.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 126.097 1.808 . . . . 10.0 114.785 -174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -144.39 148.6 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.855 1.662 . . . . 10.0 110.927 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -64.29 143.91 98.42 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.483 -0.761 . . . . 10.0 111.483 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.56 -39.64 0.71 Allowed 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 121.485 1.457 . . . . 10.0 113.941 -171.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -52.7 -38.28 60.4 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 116.14 1.904 . . . . 10.0 116.14 -168.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.7 p -66.51 -31.04 71.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.212 0.915 . . . . 10.0 113.112 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.434 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.399 20.7 ttt -95.58 -16.02 22.41 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.753 1.02 . . . . 10.0 113.753 170.231 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -62.72 -37.26 85.83 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.257 -1.527 . . . . 10.0 107.058 166.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -36.83 85.35 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.389 1.476 . . . . 10.0 112.088 168.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.5 mm? -57.73 -50.51 72.98 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.862 1.665 . . . . 10.0 109.963 169.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.81 -41.2 92.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.464 -0.495 . . . . 10.0 110.459 -170.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.29 -47.18 86.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.481 2.713 . . . . 10.0 113.425 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -35.97 32.58 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.143 -0.973 . . . . 10.0 113.046 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -30.1 69.97 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.632 1.573 . . . . 10.0 109.943 169.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.32 -39.95 67.82 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.807 -1.183 . . . . 10.0 111.475 168.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.01 -40.17 96.97 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.751 0.705 . . . . 10.0 112.023 172.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.51 -57.93 3.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 124.973 1.309 . . . . 10.0 108.237 169.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -37.9 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.026 0.53 . . . . 10.0 112.027 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.85 55.08 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.911 -1.118 . . . . 10.0 112.489 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.535 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.298 3.3 t-80 -72.07 -20.48 61.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.743 1.217 . . . . 10.0 110.389 169.654 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.86 -44.2 33.14 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 120.228 -1.545 . . . . 10.0 109.7 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.98 -39.76 90.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.374 1.443 . . . . 10.0 110.938 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -63.7 -26.5 68.69 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.422 -0.799 . . . . 10.0 110.32 168.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.5 tp -72.3 -50.12 29.41 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.777 -1.106 . . . . 10.0 112.707 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -59.18 -39.24 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 121.288 1.858 . . . . 10.0 110.459 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -64.87 -41.79 95.37 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 116.495 -1.717 . . . . 10.0 108.88 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.64 79.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 122.053 2.206 . . . . 10.0 112.084 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -42.99 99.83 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.033 0.833 . . . . 10.0 110.142 169.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.576 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -67.75 -35.13 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.485 1.914 . . . . 10.0 113.225 178.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.9 mmpt? -70.58 -39.0 74.14 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.625 1.57 . . . . 10.0 109.153 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -66.65 -36.72 83.24 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 118.938 -0.553 . . . . 10.0 111.528 171.81 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 119.852 -1.78 . . . . 10.0 112.554 172.042 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.09 -25.24 62.52 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.521 1.128 . . . . 10.0 112.358 169.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -78.03 -33.88 50.85 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.804 -1.185 . . . . 10.0 112.07 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.06 -38.75 86.36 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.456 -1.402 . . . . 10.0 110.035 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.9 tptt -60.37 -22.05 62.84 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.453 1.101 . . . . 10.0 112.265 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.56 -46.42 14.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.339 3.8 p -64.89 -19.76 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.078 -1.014 . . . . 10.0 111.366 169.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.64 -49.37 73.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.51 1.524 . . . . 10.0 111.538 167.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.9 m -87.26 -38.2 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.431 1.492 . . . . 10.0 113.915 -169.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -152.26 78.5 6.43 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.486 0.714 . . . . 10.0 110.814 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 5.3 Cg_endo -60.83 56.46 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.989 1 C-N-CA 126.927 5.085 . . . . 10.0 117.268 -176.534 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -75.12 148.3 39.8 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.43 -1.419 . . . . 10.0 108.708 167.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.2 t70 -55.75 -29.46 59.59 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.43 0.692 . . . . 10.0 112.741 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.42 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.128 0 CA-C-O 116.326 -1.797 . . . . 10.0 114.977 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -68.9 -24.17 64.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 122.555 2.434 . . . . 10.0 109.508 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.8 mttt -79.12 -41.52 28.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.136 1.374 . . . . 10.0 111.05 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.6 -33.31 75.37 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.486 -1.384 . . . . 10.0 114.563 171.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -29.8 70.79 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 129.496 3.118 . . . . 10.0 108.826 169.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.29 -51.71 58.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.464 -1.294 . . . . 10.0 109.915 167.395 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -58.22 -26.43 62.83 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.622 1.169 . . . . 10.0 113.704 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -74.36 -45.84 44.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.03 2.532 . . . . 10.0 113.731 170.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.91 -39.61 83.54 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.969 -1.082 . . . . 10.0 111.419 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -62.16 -31.04 71.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.423 2.689 . . . . 10.0 112.047 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.69 -35.43 72.8 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.3 -0.857 . . . . 10.0 111.615 169.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.84 72.56 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 120.332 1.424 . . . . 10.0 110.334 168.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.86 -38.0 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 120.885 1.675 . . . . 10.0 110.214 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -69.14 -39.36 78.9 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.166 1.348 . . . . 10.0 113.983 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -54.42 -55.16 31.55 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.081 1.352 . . . . 10.0 110.405 169.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.35 99.02 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 129.148 2.979 . . . . 10.0 111.028 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.54 -42.5 71.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 10.0 111.106 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -57.54 -49.6 75.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.769 0.827 . . . . 10.0 110.034 172.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -53.5 -60.51 3.21 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 116.51 -1.71 . . . . 10.0 108.905 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.15 -29.18 70.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 121.463 1.938 . . . . 10.0 114.746 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.12 -50.5 56.87 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 120.949 1.704 . . . . 10.0 111.051 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.49 81.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.012 0.906 . . . . 10.0 113.126 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.7 tp -70.1 -52.35 24.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 130.446 3.498 . . . . 10.0 110.48 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.0 mttt -61.96 -30.26 70.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.232 1.013 . . . . 10.0 110.707 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.32 64.07 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.907 1.283 . . . . 10.0 113.171 169.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -58.99 -44.32 91.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 120.217 1.371 . . . . 10.0 107.856 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.15 -51.51 69.71 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 117.277 -1.344 . . . . 10.0 112.648 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.54 -24.52 56.55 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 121.443 1.929 . . . . 10.0 114.085 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.8 -45.09 17.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.323 1.049 . . . . 10.0 113.589 168.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.66 -53.48 54.21 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.833 2.453 . . . . 10.0 112.523 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.422 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t -66.32 -45.66 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.075 2.15 . . . . 10.0 107.885 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.94 2.15 0.78 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.713 2.005 . . . . 10.0 115.199 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.76 -22.57 5.76 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.106 2.163 . . . . 10.0 113.126 173.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.68 -24.32 56.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.052 1.341 . . . . 10.0 111.682 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -79.65 -9.86 59.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 129.475 3.11 . . . . 10.0 115.179 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.127 1.371 . . . . 10.0 113.207 -168.627 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 111.351 0.13 . . . . 10.0 111.351 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -139.91 161.28 37.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.213 1.405 . . . . 10.0 111.344 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -63.93 130.42 44.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.934 0.894 . . . . 10.0 111.72 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -146.24 9.88 1.11 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.569 1.147 . . . . 10.0 114.012 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -67.25 163.75 19.79 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.773 1.229 . . . . 10.0 113.223 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -150.0 165.61 32.18 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.49 1.516 . . . . 10.0 110.802 172.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -148.7 157.75 43.67 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 10.0 112.039 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.37 178.4 48.69 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.947 1.26 . . . . 10.0 113.183 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -141.31 148.84 52.68 Favored Pre-proline 0 N--CA 1.48 1.057 0 C-N-CA 125.634 1.574 . . . . 10.0 111.645 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.12 -15.44 16.27 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.381 2.721 . . . . 10.0 113.627 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.7 159.46 71.31 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 127.183 2.193 . . . . 10.0 110.33 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.08 142.5 8.37 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.011 3.808 . . . . 10.0 114.613 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -56.56 137.07 77.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.191 0.997 . . . . 10.0 113.536 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -47.59 -22.25 2.79 Favored 'Trans proline' 0 C--N 1.354 0.841 1 C-N-CA 125.523 4.149 . . . . 10.0 117.607 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.75 -22.41 1.39 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.748 1.619 . . . . 10.0 114.971 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.59 -14.17 48.96 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.048 1.499 . . . . 10.0 115.048 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.06 21.65 0.98 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 115.83 1.092 . . . . 10.0 115.83 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.89 168.82 10.94 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.635 1.217 . . . . 10.0 112.509 170.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.46 161.89 6.94 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.664 1.186 . . . . 10.0 113.706 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -148.95 168.78 22.17 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.518 1.127 . . . . 10.0 113.642 -172.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 p -140.9 173.89 11.04 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.185 2.194 . . . . 10.0 110.547 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -140.71 155.32 46.5 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.249 1.02 . . . . 10.0 112.754 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -158.79 175.28 13.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.911 1.684 . . . . 10.0 112.34 -174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.32 151.92 26.44 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.679 1.191 . . . . 10.0 111.566 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -133.27 158.55 42.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.984 1.313 . . . . 10.0 113.02 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -61.4 144.29 54.33 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.289 1.435 . . . . 10.0 113.621 -173.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -164.13 174.33 11.39 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.409 1.884 . . . . 10.0 110.935 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.1 166.19 35.05 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.379 0.99 . . . . 10.0 113.246 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.72 -31.16 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.268 1.027 . . . . 10.0 113.766 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -149.54 149.82 29.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.066 1.746 . . . . 10.0 110.801 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.65 148.38 47.08 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.27 2.647 . . . . 10.0 111.951 171.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -67.02 -9.87 43.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -54.76 -32.93 60.63 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.178 -0.951 . . . . 10.0 113.489 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.392 28.4 ttt -82.03 -14.27 56.16 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.633 1.346 . . . . 10.0 114.633 175.386 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -68.4 -38.52 81.37 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.875 -1.766 . . . . 10.0 107.283 167.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -34.54 78.5 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.972 1.309 . . . . 10.0 112.283 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.7 mm? -57.16 -50.21 73.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 121.094 1.77 . . . . 10.0 109.941 169.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.89 -34.19 77.56 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 121.178 0.513 . . . . 10.0 111.318 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -68.8 -46.68 68.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.347 2.659 . . . . 10.0 113.398 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.87 -37.51 29.71 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.948 -1.095 . . . . 10.0 113.604 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -25.14 67.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.321 1.449 . . . . 10.0 110.801 171.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.84 -41.46 26.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.285 1.434 . . . . 10.0 111.604 169.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.57 -40.11 82.19 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.836 0.854 . . . . 10.0 111.874 171.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.89 -57.86 2.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 125.209 1.403 . . . . 10.0 108.413 169.487 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.21 -40.52 90.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.434 1.094 . . . . 10.0 112.31 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -36.57 58.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.053 -1.03 . . . . 10.0 112.414 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.304 2.8 t-80 -72.63 -19.97 61.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.862 1.265 . . . . 10.0 110.716 169.706 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.11 -43.02 30.13 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 120.192 -1.567 . . . . 10.0 109.931 168.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.74 -39.84 91.54 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.927 1.24 . . . . 10.0 110.996 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.11 -23.74 67.43 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.131 -0.981 . . . . 10.0 110.449 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.8 tp -77.56 -42.27 35.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 117.681 -1.152 . . . . 10.0 113.628 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.9 m -61.06 -43.0 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 120.773 1.624 . . . . 10.0 110.381 170.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.5 m -65.37 -40.05 93.04 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 116.443 -1.741 . . . . 10.0 108.278 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.39 78.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.904 2.138 . . . . 10.0 111.698 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.0 mmm180 -62.06 -42.85 99.62 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.709 0.766 . . . . 10.0 110.727 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.39 -34.95 75.27 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.831 2.052 . . . . 10.0 113.348 179.179 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.5 mmpt? -70.74 -38.5 73.55 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.94 1.696 . . . . 10.0 109.14 172.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.2 OUTLIER -67.23 -36.84 82.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.016 -0.516 . . . . 10.0 111.484 172.373 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 119.902 -1.749 . . . . 10.0 112.782 171.485 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.23 -24.69 62.24 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.602 1.161 . . . . 10.0 112.411 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.06 49.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.628 -1.295 . . . . 10.0 111.843 169.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.24 -38.75 85.69 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.547 -1.345 . . . . 10.0 109.88 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE3' HG13 ' A' ' 67' ' ' VAL . 13.3 tptt -60.18 -23.51 64.02 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 124.269 1.028 . . . . 10.0 112.006 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.7 -44.16 19.18 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.94 1.459 . . . . 10.0 114.94 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 3.7 p -66.63 -19.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.02 -1.05 . . . . 10.0 111.45 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.77 -49.33 73.41 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.417 -1.427 . . . . 10.0 111.055 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.7 m -87.04 -37.78 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.406 . . . . 10.0 113.677 -169.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.71 75.96 7.56 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.652 0.781 . . . . 10.0 111.694 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.266 7.1 Cg_endo -61.5 51.15 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.06 1 C-N-CA 126.947 5.098 . . . . 10.0 117.851 -176.076 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.7 m-20 -73.48 149.56 42.24 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 120.18 -1.575 . . . . 10.0 108.21 167.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 79.6 m-20 -57.22 -23.2 46.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.65 -42.77 93.47 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 CA-C-O 116.272 -1.823 . . . . 10.0 114.383 169.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -69.51 -23.98 63.69 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 122.741 2.519 . . . . 10.0 109.953 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.8 mttt -77.56 -41.47 38.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.319 1.448 . . . . 10.0 111.304 170.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -33.0 74.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.417 -1.427 . . . . 10.0 114.218 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.5 m -64.93 -31.02 72.06 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 129.52 3.128 . . . . 10.0 108.349 168.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.57 -52.01 50.12 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.802 -1.159 . . . . 10.0 109.756 167.218 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.76 -24.8 52.57 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.892 1.277 . . . . 10.0 114.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.75 -45.56 20.85 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 129.385 3.074 . . . . 10.0 113.83 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -67.17 -38.51 85.57 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 120.834 -1.166 . . . . 10.0 111.244 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.94 -31.92 73.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.288 2.635 . . . . 10.0 111.809 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 -34.88 72.59 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.667 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.51 70.91 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 120.47 1.486 . . . . 10.0 110.399 169.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.23 -37.64 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.875 1.671 . . . . 10.0 110.23 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -69.11 -39.53 78.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.995 1.271 . . . . 10.0 114.074 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -53.94 -55.07 30.39 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.354 1.462 . . . . 10.0 110.348 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.59 -44.25 96.79 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 129.424 3.09 . . . . 10.0 111.145 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -43.54 73.26 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.771 1.628 . . . . 10.0 110.802 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.7 m -58.33 -48.02 81.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.992 0.917 . . . . 10.0 110.27 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.41 -60.42 3.37 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 116.779 -1.581 . . . . 10.0 108.83 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.7 mm? -61.63 -29.13 69.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 121.469 1.94 . . . . 10.0 114.636 -172.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.03 -50.17 53.72 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 121.022 1.737 . . . . 10.0 111.322 169.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -31.87 73.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.671 1.235 . . . . 10.0 113.728 175.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -75.32 -52.88 9.76 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 130.508 3.523 . . . . 10.0 109.983 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.1 mttt -62.03 -30.42 70.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.436 1.095 . . . . 10.0 110.613 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -36.64 62.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.118 1.367 . . . . 10.0 113.248 169.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.24 -45.42 79.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 120.374 1.443 . . . . 10.0 107.593 169.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.24 -52.57 64.78 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 117.493 -1.241 . . . . 10.0 112.696 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 121.386 1.903 . . . . 10.0 114.471 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.66 -45.79 16.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.603 1.161 . . . . 10.0 113.803 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.77 -53.14 56.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.64 2.776 . . . . 10.0 112.557 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.02 -43.94 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 126.514 1.925 . . . . 10.0 107.788 -169.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.38 6.79 0.39 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.983 2.113 . . . . 10.0 115.21 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.21 -23.04 3.94 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.482 2.313 . . . . 10.0 113.045 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -27.41 61.98 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.02 1.328 . . . . 10.0 111.633 169.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -71.29 -19.95 62.27 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 129.074 2.949 . . . . 10.0 114.906 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.103 1.761 . . . . 10.0 113.35 -169.597 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -137.5 173.03 12.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.816 1.646 . . . . 10.0 111.055 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -145.8 143.96 30.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.11 0.964 . . . . 10.0 112.463 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -149.44 1.69 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -69.17 -16.59 63.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.885 1.439 . . . . 10.0 114.885 -169.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -68.51 85.79 0.29 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.951 1.7 . . . . 10.0 112.066 173.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -147.67 164.3 33.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.396 1.879 . . . . 10.0 110.438 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.27 31.6 0.28 Allowed Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -136.48 149.61 68.02 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 125.538 1.535 . . . . 10.0 111.686 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.02 167.87 26.22 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.368 2.712 . . . . 10.0 112.132 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.49 136.59 11.3 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.561 1.145 . . . . 10.0 111.45 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.5 177.72 8.41 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.335 3.357 . . . . 10.0 112.72 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -135.72 133.2 19.93 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.985 1.314 . . . . 10.0 110.089 171.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.45 155.42 32.1 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.068 2.512 . . . . 10.0 112.693 -176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.4 mt -144.28 146.05 32.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.132 1.773 . . . . 10.0 110.189 173.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.8 tp -159.45 -42.07 0.05 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.789 1.236 . . . . 10.0 112.52 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.5 175.93 48.26 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.272 0.939 . . . . 10.0 113.238 -170.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -151.19 143.0 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.199 1.4 . . . . 10.0 110.568 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -148.39 154.17 39.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.137 1.375 . . . . 10.0 111.235 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.0 p -145.76 8.7 1.14 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.845 2.058 . . . . 10.0 112.959 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -66.01 97.93 0.4 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.842 1.657 . . . . 10.0 112.342 -175.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -150.87 102.14 2.96 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.189 1.396 . . . . 10.0 110.375 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -154.29 142.27 20.2 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.974 1.31 . . . . 10.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.1 mt -140.0 -81.73 0.27 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.325 1.45 . . . . 10.0 109.891 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 34.33 56.52 0.66 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.819 2.448 . . . . 10.0 115.494 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -142.06 175.03 10.05 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.822 1.249 . . . . 10.0 112.846 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -74.05 38.98 0.11 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.841 2.056 . . . . 10.0 114.179 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.61 28.39 1.28 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 126.087 1.803 . . . . 10.0 116.137 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.2 tp -151.65 142.1 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.114 1.766 . . . . 10.0 110.636 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -71.0 145.27 91.33 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.727 0.811 . . . . 10.0 112.246 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.97 -8.1 16.55 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.328 2.686 . . . . 10.0 114.527 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.08 -37.7 54.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.472 1.509 . . . . 10.0 114.962 -169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 p -61.03 -32.28 71.89 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.461 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.386 66.3 ttp -93.84 -13.53 27.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 171.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -65.73 -39.12 90.81 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 119.972 -1.705 . . . . 10.0 107.016 166.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -37.61 86.39 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.504 1.522 . . . . 10.0 112.335 169.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.1 mm? -56.4 -50.44 71.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.575 1.534 . . . . 10.0 110.076 170.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.22 -36.45 83.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.911 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -48.07 74.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.008 2.123 . . . . 10.0 112.836 169.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.4 -35.74 34.83 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 119.476 1.034 . . . . 10.0 112.775 -171.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.36 -26.99 67.53 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.669 1.588 . . . . 10.0 110.756 170.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -79.24 -36.66 39.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.435 1.094 . . . . 10.0 111.416 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.17 -42.57 98.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.771 1.228 . . . . 10.0 111.232 173.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.91 -55.52 5.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 C-N-CA 126.04 1.736 . . . . 10.0 108.522 169.447 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.53 -39.55 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.906 1.282 . . . . 10.0 112.647 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.37 59.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 10.0 112.363 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.535 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.3 3.1 t-80 -75.41 -22.7 57.21 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.345 1.458 . . . . 10.0 111.119 171.266 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -74.46 -40.03 62.14 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.114 -1.616 . . . . 10.0 109.17 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -35.96 65.78 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.281 -0.887 . . . . 10.0 111.045 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.93 -24.52 66.84 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 167.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 87' ' ' LEU . 23.6 tp -74.69 -47.47 31.47 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.635 -1.174 . . . . 10.0 113.257 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.53 -39.71 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 121.429 1.922 . . . . 10.0 109.956 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.8 m -67.0 -41.45 86.69 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 116.215 -1.85 . . . . 10.0 109.411 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.25 78.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 122.296 2.316 . . . . 10.0 111.721 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.824 0.738 . . . . 10.0 110.191 169.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.575 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.68 -38.35 89.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.443 1.897 . . . . 10.0 113.016 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.8 mmpt? -69.02 -39.87 78.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.584 1.954 . . . . 10.0 109.472 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.99 -34.3 77.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 118.697 -0.668 . . . . 10.0 111.375 171.585 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 2.3 ttpt -66.16 -32.75 74.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 119.981 -1.699 . . . . 10.0 112.907 170.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.19 -23.74 64.88 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.232 0.924 . . . . 10.0 111.758 169.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.91 37.36 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.611 -1.306 . . . . 10.0 112.175 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.87 -37.66 84.85 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.421 -1.424 . . . . 10.0 110.082 169.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.7 tptt -57.21 -38.05 73.13 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.294 1.037 . . . . 10.0 110.415 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.81 -38.34 76.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.197 0.814 . . . . 10.0 113.197 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.319 4.1 p -77.21 -21.75 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 118.869 0.759 . . . . 10.0 112.534 169.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.44 -37.96 89.35 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.051 -1.655 . . . . 10.0 111.607 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -110.61 -24.73 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 117.44 2.385 . . . . 10.0 117.44 -166.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -151.36 72.17 8.37 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.251 0.621 . . . . 10.0 112.152 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 5.0 Cg_endo -59.0 50.51 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.173 1 C-N-CA 127.641 5.56 . . . . 10.0 119.036 -173.475 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.2 m-20 -73.6 149.79 41.85 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 119.96 -1.713 . . . . 10.0 108.769 167.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.0 m-20 -57.85 -23.25 51.99 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -174.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.67 -40.5 86.31 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 CA-C-O 116.153 -1.879 . . . . 10.0 114.35 169.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -70.15 -25.46 63.48 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 122.804 2.547 . . . . 10.0 110.039 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -75.92 -40.73 53.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.605 1.562 . . . . 10.0 111.218 170.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -69.04 -33.41 73.57 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.987 1.375 . . . . 10.0 114.411 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 m -65.47 -28.86 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.082 3.353 . . . . 10.0 108.978 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.3 -51.55 59.91 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 118.395 -1.322 . . . . 10.0 109.634 167.457 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.47 -26.43 63.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.668 1.187 . . . . 10.0 113.702 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -74.3 -45.5 47.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.99 2.516 . . . . 10.0 113.795 170.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.55 -39.09 81.22 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.86 -1.15 . . . . 10.0 111.457 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -62.62 -29.8 70.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.242 2.617 . . . . 10.0 111.679 169.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.46 67.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.078 0.951 . . . . 10.0 111.75 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.63 65.56 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 120.179 1.354 . . . . 10.0 109.596 168.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.1 t -51.91 -38.92 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 121.067 1.758 . . . . 10.0 109.891 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t -68.09 -38.12 81.98 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.31 1.414 . . . . 10.0 113.894 174.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 m -55.77 -55.01 37.38 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.213 1.405 . . . . 10.0 110.641 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -63.3 -42.4 99.04 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.249 3.02 . . . . 10.0 111.228 -175.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.81 -41.99 70.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.364 1.865 . . . . 10.0 110.801 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.7 m -58.2 -48.79 79.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.891 0.876 . . . . 10.0 110.128 171.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -53.9 -60.26 3.56 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-O 117.113 -1.422 . . . . 10.0 109.027 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.65 -27.18 69.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 121.609 2.004 . . . . 10.0 114.719 -170.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.03 -49.92 50.37 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 120.659 1.572 . . . . 10.0 110.866 168.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -32.07 73.38 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.23 1.015 . . . . 10.0 113.699 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.1 tp -76.0 -52.48 10.14 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 130.698 3.599 . . . . 10.0 110.307 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE2' HD12 ' A' ' 91' ' ' LEU . 43.3 mttm -61.35 -29.09 69.69 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.993 0.917 . . . . 10.0 110.502 173.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -37.66 60.43 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.351 1.461 . . . . 10.0 113.268 169.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.26 -44.09 79.39 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.632 1.56 . . . . 10.0 107.867 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.35 -52.64 64.77 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.314 -1.327 . . . . 10.0 112.529 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.48 -24.53 46.67 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 121.527 1.967 . . . . 10.0 114.351 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.72 -45.76 16.58 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.57 1.148 . . . . 10.0 113.544 168.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.43 -53.34 55.4 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.275 2.63 . . . . 10.0 112.645 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.414 HG22 HD11 ' A' ' 37' ' ' LEU . 41.3 t -66.68 -44.16 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 C-N-CA 126.913 2.085 . . . . 10.0 107.779 -169.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 3.33 0.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.033 2.133 . . . . 10.0 115.158 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.96 -23.31 5.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.17 2.188 . . . . 10.0 113.183 171.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.97 -27.06 63.1 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.828 1.251 . . . . 10.0 111.831 169.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -72.22 -23.29 61.22 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 128.58 2.752 . . . . 10.0 114.783 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.254 1.32 0 C-N-CA 126.094 1.758 . . . . 10.0 113.256 -169.518 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -131.44 14.07 5.01 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.937 1.295 . . . . 10.0 113.44 -173.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -132.35 26.97 4.47 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.629 1.572 . . . . 10.0 112.286 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -131.33 105.42 7.62 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.83 1.652 . . . . 10.0 109.731 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -155.5 167.9 28.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.855 1.262 . . . . 10.0 112.619 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -64.41 149.5 48.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.01 1.324 . . . . 10.0 112.292 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -146.97 18.54 1.25 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.501 1.12 . . . . 10.0 113.413 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.56 156.95 48.26 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 120.615 -1.303 . . . . 10.0 112.567 171.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.86 148.63 65.93 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.069 1.348 . . . . 10.0 111.681 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.81 155.12 63.06 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.068 2.512 . . . . 10.0 113.236 -170.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 tp -154.56 143.89 15.12 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 126.019 1.728 . . . . 10.0 109.998 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.31 150.69 14.42 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.549 3.499 . . . . 10.0 114.082 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -61.0 143.51 91.86 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.041 0.937 . . . . 10.0 112.085 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.36 161.33 42.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.326 2.684 . . . . 10.0 112.419 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.34 135.48 21.48 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.182 1.393 . . . . 10.0 110.251 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.4 mt -78.63 173.78 12.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.866 1.266 . . . . 10.0 112.728 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.67 166.23 37.24 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.696 1.141 . . . . 10.0 113.396 174.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 tp -155.94 153.66 29.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.75 1.62 . . . . 10.0 110.773 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -145.39 146.03 31.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.394 1.478 . . . . 10.0 110.768 173.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.7 p -158.55 175.63 13.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.909 1.284 . . . . 10.0 112.873 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.9 p -133.64 161.93 33.32 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.807 1.643 . . . . 10.0 111.704 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.27 126.19 26.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.37 1.068 . . . . 10.0 113.194 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.94 149.99 49.85 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.605 1.162 . . . . 10.0 113.477 174.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -138.95 156.85 46.92 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.861 1.664 . . . . 10.0 110.651 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -143.68 166.91 23.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.802 1.241 . . . . 10.0 112.71 -170.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -70.31 178.28 2.94 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.741 1.616 . . . . 10.0 113.756 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -118.04 168.23 10.73 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.801 1.64 . . . . 10.0 111.992 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.31 176.78 47.05 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.676 1.132 . . . . 10.0 115.138 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.41 157.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.114 1.366 . . . . 10.0 112.584 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.96 152.39 50.29 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.45 1.1 . . . . 10.0 113.53 175.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.09 175.87 8.57 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.83 3.02 . . . . 10.0 113.362 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 69.64 4.59 4.77 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.103 2.161 . . . . 10.0 116.239 171.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -58.61 -38.95 79.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.611 -1.306 . . . . 10.0 112.53 172.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.367 64.7 ttp -83.51 -15.6 48.8 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 171.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.06 -38.97 93.0 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.116 -1.615 . . . . 10.0 107.976 167.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.72 -37.87 88.97 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.152 1.381 . . . . 10.0 112.193 169.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.7 mm? -56.62 -49.87 73.68 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 120.712 1.596 . . . . 10.0 110.335 169.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.11 -30.94 71.09 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 120.573 -0.451 . . . . 10.0 111.522 -169.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.19 -45.66 55.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.154 2.181 . . . . 10.0 112.834 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 -35.83 33.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.831 1.196 . . . . 10.0 113.063 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.29 -27.54 67.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.235 1.414 . . . . 10.0 110.545 169.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.42 -38.04 56.17 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.779 1.232 . . . . 10.0 111.052 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.3 -42.96 99.53 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.753 1.221 . . . . 10.0 111.199 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.27 -57.35 2.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 125.784 1.633 . . . . 10.0 108.567 169.599 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -34.35 73.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.192 0.597 . . . . 10.0 112.317 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.74 42.07 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.66 -1.275 . . . . 10.0 112.193 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.529 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.309 2.3 t-80 -69.73 -21.69 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.004 1.322 . . . . 10.0 110.921 169.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.58 -43.27 39.51 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 120.137 -1.602 . . . . 10.0 109.876 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.41 -39.12 91.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.284 1.402 . . . . 10.0 111.045 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.85 -24.88 67.92 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.118 -0.989 . . . . 10.0 110.218 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 22.4 tp -77.72 -42.75 33.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.52 173.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.3 m -61.08 -41.73 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 120.713 1.597 . . . . 10.0 110.345 170.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -66.73 -38.75 87.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 116.197 -1.858 . . . . 10.0 109.305 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.07 78.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.352 1.887 . . . . 10.0 111.226 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -62.4 -47.96 81.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.856 0.753 . . . . 10.0 110.202 169.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -63.1 -29.35 70.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.119 2.167 . . . . 10.0 113.194 176.621 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.65 -40.31 34.53 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.956 2.102 . . . . 10.0 109.95 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 77' ' ' LEU 0.459 0.0 OUTLIER -68.51 -32.82 73.06 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.298 -0.858 . . . . 10.0 111.273 169.777 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -67.61 -33.59 75.3 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.217 -2.177 . . . . 10.0 113.64 169.773 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -24.1 61.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.354 1.062 . . . . 10.0 112.239 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.06 -30.64 39.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.457 -1.402 . . . . 10.0 111.415 168.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -67.5 -38.19 83.95 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.265 -1.522 . . . . 10.0 109.507 169.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.1 tptt -56.8 -36.63 70.12 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 123.611 0.764 . . . . 10.0 110.44 169.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.35 -40.02 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.316 3.5 p -75.63 -21.68 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 121.479 -0.763 . . . . 10.0 112.515 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.67 -39.24 93.32 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.009 -1.682 . . . . 10.0 111.634 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -108.71 -24.66 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 117.398 2.37 . . . . 10.0 117.398 -166.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -151.35 72.1 8.37 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.36 0.664 . . . . 10.0 112.206 169.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.276 4.5 Cg_endo -59.43 54.22 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.049 1 C-N-CA 127.421 5.414 . . . . 10.0 119.027 -173.169 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -75.33 151.73 38.22 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 119.866 -1.771 . . . . 10.0 108.62 167.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -52.04 -33.07 37.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.943 1.297 . . . . 10.0 114.333 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.93 -38.79 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 115.894 -2.003 . . . . 10.0 113.997 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.09 -24.19 64.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 122.662 2.483 . . . . 10.0 109.955 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 13.0 mttt -79.18 -38.1 36.7 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.156 1.383 . . . . 10.0 111.259 171.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.3 m -71.22 -35.44 71.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.9 1.333 . . . . 10.0 114.196 172.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m -62.76 -28.9 70.29 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 130.032 3.333 . . . . 10.0 108.688 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD11 HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -64.55 -53.41 48.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 118.723 -1.191 . . . . 10.0 110.557 167.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.01 -27.22 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.075 1.35 . . . . 10.0 113.122 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.86 -45.46 61.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.8 2.44 . . . . 10.0 113.417 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.7 -40.7 79.91 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.571 1.177 . . . . 10.0 111.842 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -64.23 -28.62 69.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.304 2.641 . . . . 10.0 111.792 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.86 64.71 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 10.0 111.447 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.12 74.75 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 120.012 1.278 . . . . 10.0 109.13 168.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG21 HD12 ' A' ' 58' ' ' LEU . 43.3 t -51.21 -39.62 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.887 1.676 . . . . 10.0 110.661 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -68.45 -38.23 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.995 1.271 . . . . 10.0 114.011 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -55.08 -55.1 34.78 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.324 1.45 . . . . 10.0 110.489 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.66 -43.63 98.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.448 3.099 . . . . 10.0 111.247 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.22 -43.11 71.32 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.832 1.653 . . . . 10.0 110.832 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.6 m -57.79 -49.46 76.54 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.735 0.814 . . . . 10.0 110.091 172.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -53.17 -60.45 3.28 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 116.566 -1.683 . . . . 10.0 108.95 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.99 -30.06 71.3 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 121.397 1.908 . . . . 10.0 114.721 -171.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.29 -50.48 59.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 120.955 1.707 . . . . 10.0 111.149 169.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.48 80.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 117.957 0.878 . . . . 10.0 113.209 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.0 tp -70.74 -52.31 21.65 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.529 3.531 . . . . 10.0 110.154 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' LEU . 71.6 mttt -61.28 -30.26 70.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.405 1.082 . . . . 10.0 110.601 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -35.09 61.65 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.35 1.46 . . . . 10.0 113.782 169.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.77 -43.49 90.41 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 120.323 1.419 . . . . 10.0 107.463 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.75 -51.9 68.01 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 117.366 -1.302 . . . . 10.0 112.733 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.08 58.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 121.368 1.895 . . . . 10.0 114.165 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.62 -43.99 19.6 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.414 1.086 . . . . 10.0 113.7 169.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -53.2 59.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.002 2.521 . . . . 10.0 112.752 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.52 -44.37 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 126.937 2.095 . . . . 10.0 108.137 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.77 1.83 0.57 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.466 2.306 . . . . 10.0 115.247 171.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -123.05 -23.05 5.04 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.386 2.274 . . . . 10.0 113.171 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -28.53 64.24 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.91 1.284 . . . . 10.0 111.613 169.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -69.22 -22.97 63.83 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 128.588 2.755 . . . . 10.0 114.77 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.298 1.839 . . . . 10.0 113.32 -169.55 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 119.043 -0.503 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -151.05 122.28 7.78 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.249 1.419 . . . . 10.0 109.913 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -138.21 -9.96 1.49 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.357 1.243 . . . . 10.0 114.357 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -157.13 162.6 39.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 10.0 110.419 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.49 -12.46 57.56 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.611 1.338 . . . . 10.0 114.611 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -149.67 174.3 12.73 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.496 1.918 . . . . 10.0 110.61 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.87 154.03 10.01 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.312 1.045 . . . . 10.0 112.581 170.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.02 177.7 42.65 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.069 1.319 . . . . 10.0 113.084 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -59.6 141.23 88.65 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 124.313 1.045 . . . . 10.0 112.954 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -83.02 -0.54 10.06 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 124.047 3.165 . . . . 10.0 114.466 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.3 pt -58.95 152.09 51.73 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.468 1.507 . . . . 10.0 114.03 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.97 177.61 8.59 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 124.421 3.414 . . . . 10.0 112.92 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.61 157.29 44.74 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 125.685 1.594 . . . . 10.0 110.677 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.44 38.12 0.71 Allowed 'Trans proline' 0 CA--C 1.551 1.325 0 C-N-CA 124.879 3.719 . . . . 10.0 113.985 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.59 152.74 25.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.123 1.369 . . . . 10.0 113.08 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.41 173.63 13.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.029 1.732 . . . . 10.0 111.443 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.17 76.97 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 123.373 0.511 . . . . 10.0 113.829 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.08 16.9 11.63 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.284 1.834 . . . . 10.0 113.294 -173.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.65 23.19 6.8 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.668 1.987 . . . . 10.0 111.709 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -147.25 170.72 16.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.599 1.96 . . . . 10.0 111.507 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -64.2 145.34 56.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.388 1.075 . . . . 10.0 113.527 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.42 142.98 19.63 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.139 1.776 . . . . 10.0 109.922 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -137.96 -3.33 1.82 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.052 1.341 . . . . 10.0 114.397 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.1 mt -128.13 15.5 6.75 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.982 1.713 . . . . 10.0 113.045 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 p90 52.64 3.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 119.236 3.05 . . . . 10.0 119.236 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.94 10.98 3.94 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.099 1.359 . . . . 10.0 113.76 172.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.42 -20.99 61.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.374 1.07 . . . . 10.0 112.555 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.25 114.31 2.35 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.591 1.567 . . . . 10.0 111.873 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 pt -146.68 173.38 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 126.256 1.822 . . . . 10.0 111.97 -172.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -53.28 156.64 3.83 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.96 1.704 . . . . 10.0 113.555 170.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -67.54 145.36 70.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.484 2.122 . . . . 10.0 111.988 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -58.34 -29.49 65.98 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.685 1.365 . . . . 10.0 114.685 -170.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -59.22 -32.47 69.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.741 0.816 . . . . 10.0 113.126 172.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.381 59.8 ttp -95.73 -15.98 22.26 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 171.472 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 m -63.89 -36.88 85.38 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.319 -1.488 . . . . 10.0 107.227 166.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.75 -35.92 82.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.839 1.656 . . . . 10.0 111.888 168.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.8 mm? -58.24 -50.87 72.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.69 1.586 . . . . 10.0 109.801 169.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.54 -37.86 89.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.228 -0.589 . . . . 10.0 110.974 -171.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.46 -47.35 82.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 128.335 2.654 . . . . 10.0 114.323 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -36.14 31.94 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 124.14 0.976 . . . . 10.0 113.132 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -28.34 68.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.461 1.504 . . . . 10.0 110.132 169.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.82 -39.41 56.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.658 1.183 . . . . 10.0 111.055 168.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -39.47 90.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.671 0.789 . . . . 10.0 111.701 173.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.58 -58.54 2.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 C-N-CA 125.615 1.566 . . . . 10.0 108.309 169.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -37.92 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.149 0.58 . . . . 10.0 111.921 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.53 -37.39 60.09 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.079 -1.013 . . . . 10.0 112.45 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 87' ' ' LEU 0.305 3.0 t-80 -73.42 -19.75 60.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.508 1.123 . . . . 10.0 110.587 169.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -77.58 -42.83 33.75 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 120.274 -1.516 . . . . 10.0 109.856 168.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.74 -36.87 81.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 120.476 1.489 . . . . 10.0 111.098 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -66.02 -23.45 66.56 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.327 -0.858 . . . . 10.0 109.927 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.7 tp -78.43 -44.58 24.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.328 0.967 . . . . 10.0 113.257 173.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.1 m -60.55 -41.78 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 CA-C-N 120.525 1.511 . . . . 10.0 110.38 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -66.62 -38.35 86.77 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 115.832 -2.033 . . . . 10.0 109.18 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.46 77.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 122.352 2.342 . . . . 10.0 111.617 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 mmt180 -63.18 -43.78 97.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.102 0.864 . . . . 10.0 110.804 169.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.593 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.9 -36.91 83.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.108 2.163 . . . . 10.0 112.795 -179.614 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -70.43 -39.97 74.08 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.994 2.117 . . . . 10.0 109.534 172.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.3 OUTLIER -65.2 -36.9 85.62 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.511 0.596 . . . . 10.0 111.243 172.315 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -65.7 -33.32 75.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 119.952 -1.718 . . . . 10.0 112.865 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.13 -23.33 65.8 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 119.339 0.972 . . . . 10.0 112.282 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.09 -33.52 38.72 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.759 -1.213 . . . . 10.0 112.016 169.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.9 -39.09 90.29 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.465 -1.397 . . . . 10.0 110.135 169.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.2 tptt -60.51 -23.36 64.48 Favored 'General case' 0 C--O 1.22 -0.5 0 C-N-CA 125.025 1.33 . . . . 10.0 112.226 170.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.81 -45.64 16.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.803 1.408 . . . . 10.0 114.803 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.343 3.6 p -65.44 -19.4 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 121.236 -0.915 . . . . 10.0 111.51 169.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.47 -49.58 70.86 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.47 -1.394 . . . . 10.0 111.289 167.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.7 m -85.83 -38.72 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.254 1.422 . . . . 10.0 113.958 -169.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -152.15 79.46 6.22 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.354 0.662 . . . . 10.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.1 Cg_endo -60.19 54.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.545 1.036 1 C-N-CA 127.118 5.212 . . . . 10.0 117.382 -177.281 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.9 m-20 -73.64 147.38 43.79 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 120.36 -1.463 . . . . 10.0 108.456 167.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -56.93 -27.09 60.58 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.03 -41.03 91.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 CA-C-O 116.321 -1.799 . . . . 10.0 114.801 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.86 -24.33 64.33 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.601 2.455 . . . . 10.0 109.606 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -78.23 -42.59 30.81 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.395 1.478 . . . . 10.0 111.196 170.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -65.45 -33.31 75.64 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.392 -1.442 . . . . 10.0 114.503 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.7 m -65.25 -29.33 70.1 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 129.687 3.195 . . . . 10.0 108.945 169.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.93 -51.45 58.46 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 118.601 -1.24 . . . . 10.0 109.762 167.37 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.31 -26.65 63.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.602 1.161 . . . . 10.0 113.658 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.9 -46.05 46.93 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.899 2.48 . . . . 10.0 113.504 170.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.87 -37.95 82.46 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.931 -1.106 . . . . 10.0 111.462 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -63.35 -32.51 73.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.434 2.694 . . . . 10.0 111.978 169.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.15 69.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.146 0.978 . . . . 10.0 111.754 169.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.07 63.44 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 119.927 1.24 . . . . 10.0 109.81 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -51.38 -38.91 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 121.201 1.819 . . . . 10.0 110.285 173.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -38.22 80.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.964 1.257 . . . . 10.0 114.036 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -55.77 -55.58 30.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.442 1.497 . . . . 10.0 110.499 169.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.88 -43.32 99.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 129.526 3.13 . . . . 10.0 111.119 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.19 -43.8 70.01 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.893 1.677 . . . . 10.0 110.943 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.4 m -57.37 -48.64 78.51 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.649 0.78 . . . . 10.0 110.166 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -54.0 -60.42 3.35 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.197 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.24 -29.16 70.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 121.661 2.028 . . . . 10.0 114.614 -171.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.19 51.17 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 120.715 1.598 . . . . 10.0 111.169 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -33.17 74.06 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.621 1.211 . . . . 10.0 113.601 175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.39 -52.58 13.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 129.979 3.312 . . . . 10.0 109.995 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.4 mttt -61.51 -30.0 70.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.272 1.029 . . . . 10.0 110.545 174.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.79 59.1 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.578 1.551 . . . . 10.0 114.044 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -60.5 -44.63 95.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.491 1.496 . . . . 10.0 107.116 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.34 -50.89 71.5 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 117.304 -1.331 . . . . 10.0 112.19 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.98 54.13 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.396 1.907 . . . . 10.0 114.439 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.77 -45.84 16.36 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.686 1.13 . . . . 10.0 113.373 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.7 -53.64 52.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.305 2.642 . . . . 10.0 112.546 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.02 -40.68 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.856 2.062 . . . . 10.0 108.027 -169.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.4 10.45 0.34 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 115.209 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.12 -31.61 2.34 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.473 2.309 . . . . 10.0 111.754 169.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -38.0 68.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.479 1.511 . . . . 10.0 110.552 168.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -76.27 -11.31 59.89 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.923 2.089 . . . . 10.0 115.628 -174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.795 1.638 . . . . 10.0 112.667 -173.096 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 118.626 -0.702 . . . . 10.0 110.285 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 166.84 27.74 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.702 1.601 . . . . 10.0 111.461 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 m80 51.49 37.25 18.93 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.419 1.488 . . . . 10.0 114.157 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.98 156.2 12.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.647 1.579 . . . . 10.0 113.815 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.46 164.05 28.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.098 1.759 . . . . 10.0 110.735 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -135.71 6.57 3.21 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.235 1.198 . . . . 10.0 114.235 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 150.15 40.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.511 1.124 . . . . 10.0 113.019 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.18 173.57 44.54 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.332 0.968 . . . . 10.0 113.783 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.0 153.06 56.54 Favored Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 126.637 1.975 . . . . 10.0 111.093 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.92 157.28 62.3 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.882 2.388 . . . . 10.0 112.204 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -136.88 159.08 71.58 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 125.51 1.524 . . . . 10.0 112.245 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.2 160.25 3.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 125.288 3.992 . . . . 10.0 116.032 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -143.57 123.88 7.79 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.84 1.656 . . . . 10.0 109.427 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.22 45.14 1.48 Allowed 'Trans proline' 0 CA--C 1.55 1.324 0 C-N-CA 125.238 3.959 . . . . 10.0 113.865 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.8 -26.89 67.62 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.828 1.651 . . . . 10.0 113.408 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.65 165.92 24.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.744 2.018 . . . . 10.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.5 -167.62 31.97 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.716 1.151 . . . . 10.0 113.449 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -36.56 81.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.015 0.926 . . . . 10.0 112.094 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 51.1 20.18 0.81 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.875 2.07 . . . . 10.0 115.41 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -157.89 166.85 31.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.441 1.896 . . . . 10.0 110.79 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.5 p -68.34 141.84 55.66 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.281 1.032 . . . . 10.0 112.371 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.78 4.88 1.73 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.51 1.124 . . . . 10.0 112.996 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -150.83 152.73 34.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.487 1.515 . . . . 10.0 110.62 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.93 175.31 14.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.33 1.452 . . . . 10.0 112.947 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -62.68 168.64 3.61 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.672 1.589 . . . . 10.0 114.163 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -145.11 145.91 31.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.008 1.323 . . . . 10.0 111.261 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -145.61 157.56 43.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.113 1.765 . . . . 10.0 110.569 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.26 28.54 0.34 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.931 0.777 . . . . 10.0 114.845 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.44 169.84 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.923 1.689 . . . . 10.0 112.141 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -145.16 155.34 54.72 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.45 1.9 . . . . 10.0 110.354 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.41 -14.76 43.68 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.038 2.492 . . . . 10.0 114.547 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -59.0 -22.47 60.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.801 1.24 . . . . 10.0 113.996 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 p -57.28 -35.71 70.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.589 0.756 . . . . 10.0 112.225 170.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.507 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.387 27.3 ttt -88.92 -15.11 35.15 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 174.674 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 m -65.76 -39.97 91.59 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 119.975 -1.703 . . . . 10.0 107.41 166.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -62.62 -38.44 90.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.329 1.452 . . . . 10.0 112.401 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.9 mm? -56.46 -49.56 74.29 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.548 1.522 . . . . 10.0 110.598 170.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -67.56 -26.87 66.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.875 -169.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -76.91 -46.62 23.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.644 2.378 . . . . 10.0 112.354 169.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 -36.44 32.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.635 1.107 . . . . 10.0 113.426 -172.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -66.66 -27.66 67.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.161 1.384 . . . . 10.0 110.42 170.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.34 -38.41 55.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.762 1.225 . . . . 10.0 111.296 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.98 -44.26 97.62 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.675 1.19 . . . . 10.0 111.095 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.435 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -48.71 -56.68 2.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 125.908 1.683 . . . . 10.0 108.807 169.652 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -36.32 73.54 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.932 0.493 . . . . 10.0 112.127 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.78 61.39 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.83 -1.169 . . . . 10.0 112.573 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.328 1.8 t-80 -73.34 -19.28 61.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.412 1.885 . . . . 10.0 111.154 169.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -80.07 -41.45 25.59 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 120.344 -1.472 . . . . 10.0 109.259 168.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.5 -38.03 86.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.592 1.542 . . . . 10.0 111.312 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -66.27 -21.57 66.28 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.122 -0.986 . . . . 10.0 110.16 168.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -80.1 -43.47 21.68 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 117.588 -1.196 . . . . 10.0 113.278 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.1 m -59.76 -41.25 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 CA-C-N 120.555 1.525 . . . . 10.0 110.131 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.6 m -70.73 -34.91 72.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 115.957 -1.973 . . . . 10.0 110.273 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.33 77.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.572 1.987 . . . . 10.0 110.995 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -63.85 -48.66 75.86 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.159 0.891 . . . . 10.0 110.273 169.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -29.95 70.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.663 1.985 . . . . 10.0 112.333 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -42.16 25.38 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.223 2.209 . . . . 10.0 110.589 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 77' ' ' LEU 0.439 0.0 OUTLIER -65.86 -32.65 74.29 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 118.655 -0.688 . . . . 10.0 110.791 169.891 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -69.73 -34.35 73.72 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 119.684 -1.885 . . . . 10.0 113.445 169.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.83 -24.5 65.28 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.726 1.148 . . . . 10.0 111.71 169.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.31 35.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.464 -1.397 . . . . 10.0 112.095 168.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.6 -37.76 85.56 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.107 -1.62 . . . . 10.0 109.704 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.515 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.7 tptt -57.26 -37.47 72.39 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 124.295 1.038 . . . . 10.0 110.341 169.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.49 -39.96 77.31 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.199 0.815 . . . . 10.0 113.199 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.314 3.6 p -75.57 -22.62 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.561 -0.712 . . . . 10.0 112.562 170.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.26 -37.92 89.2 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 119.966 -1.709 . . . . 10.0 111.812 168.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -109.86 -25.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 117.364 2.357 . . . . 10.0 117.364 -166.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -151.53 72.53 8.24 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.406 0.682 . . . . 10.0 112.003 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 4.3 Cg_endo -58.99 53.67 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.1 1 C-N-CA 127.643 5.562 . . . . 10.0 119.193 -173.092 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 75.3 m-20 -74.3 148.66 41.2 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 119.812 -1.805 . . . . 10.0 109.114 167.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 82.0 m-20 -57.49 -24.47 56.05 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.781 0.8 . . . . 10.0 113.058 -174.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.79 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-O 116.158 -1.877 . . . . 10.0 114.113 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -67.79 -26.49 66.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 122.851 2.568 . . . . 10.0 110.034 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -78.11 -30.62 49.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.877 1.671 . . . . 10.0 112.392 171.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 m -79.99 -36.13 36.43 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 123.185 1.469 . . . . 10.0 113.929 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.6 m -60.82 -29.15 69.3 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 130.122 3.369 . . . . 10.0 108.03 168.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -62.94 -54.28 40.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.117 -1.033 . . . . 10.0 111.322 168.22 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.66 -26.44 65.53 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.633 1.573 . . . . 10.0 112.6 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -72.56 -45.76 57.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.914 2.486 . . . . 10.0 113.312 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.4 -41.14 80.91 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.725 1.25 . . . . 10.0 112.064 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -63.88 -29.63 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 128.314 2.646 . . . . 10.0 111.826 169.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.97 67.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.089 0.956 . . . . 10.0 111.442 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.76 74.54 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 119.875 1.216 . . . . 10.0 109.397 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG21 HD12 ' A' ' 58' ' ' LEU . 43.9 t -51.46 -39.97 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 121.387 1.903 . . . . 10.0 110.783 172.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.5 t -67.11 -38.0 84.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.905 1.229 . . . . 10.0 113.774 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.1 m -56.27 -55.43 33.46 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.269 1.427 . . . . 10.0 110.786 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 129.168 2.987 . . . . 10.0 110.86 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.12 -44.1 69.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.058 1.743 . . . . 10.0 111.061 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.66 -48.63 78.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.834 0.853 . . . . 10.0 110.154 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -53.76 -60.31 3.48 Favored 'General case' 0 CA--C 1.493 -1.242 0 CA-C-O 116.911 -1.518 . . . . 10.0 108.967 172.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.8 mm? -63.11 -27.7 69.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 121.763 2.074 . . . . 10.0 114.847 -171.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.6 -50.73 46.93 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 120.778 1.626 . . . . 10.0 110.979 168.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -33.22 74.31 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.194 0.997 . . . . 10.0 113.587 176.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.71 -53.26 10.77 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 130.699 3.6 . . . . 10.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.546 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.1 mttm -61.14 -29.85 70.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.876 0.87 . . . . 10.0 110.527 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -37.38 62.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.087 1.355 . . . . 10.0 113.431 169.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -55.83 -43.66 77.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 120.481 1.491 . . . . 10.0 107.897 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.94 -52.0 67.64 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 117.535 -1.221 . . . . 10.0 112.921 172.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.49 53.65 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 121.162 1.801 . . . . 10.0 114.38 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.68 -44.93 17.99 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.689 1.196 . . . . 10.0 113.529 169.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.16 -53.09 60.41 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.358 2.663 . . . . 10.0 112.802 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.78 -40.13 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.637 1.975 . . . . 10.0 107.855 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 14.99 0.12 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.56 2.344 . . . . 10.0 115.332 171.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.41 -26.82 1.41 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.885 2.474 . . . . 10.0 111.451 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -37.63 77.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.251 1.42 . . . . 10.0 109.988 168.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.88 -12.42 60.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.033 2.133 . . . . 10.0 115.474 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.261 1.824 . . . . 10.0 112.28 -179.707 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.466 -0.198 . . . . 10.0 110.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -136.01 17.32 3.25 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.137 1.375 . . . . 10.0 112.771 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -137.86 165.59 26.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.2 1.4 . . . . 10.0 112.217 -171.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.12 160.81 14.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.86 1.264 . . . . 10.0 113.119 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -63.8 137.06 57.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.534 0.734 . . . . 10.0 111.375 172.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -82.46 1.43 37.57 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.312 1.227 . . . . 10.0 114.312 -175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -147.84 155.83 42.06 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.787 1.635 . . . . 10.0 111.492 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.4 169.62 41.35 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.084 1.326 . . . . 10.0 113.236 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -68.07 153.6 95.12 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 124.868 1.267 . . . . 10.0 112.417 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.56 156.84 10.6 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.814 3.009 . . . . 10.0 113.993 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.5 pt -137.02 159.94 68.05 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.066 1.347 . . . . 10.0 112.507 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.89 166.95 1.78 Allowed 'Trans proline' 0 CA--C 1.54 0.815 1 C-N-CA 125.35 4.034 . . . . 10.0 115.197 170.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -144.75 151.31 49.43 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 125.476 1.51 . . . . 10.0 110.836 170.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.97 127.27 12.0 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.032 2.488 . . . . 10.0 112.079 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -146.9 16.86 1.24 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.802 1.241 . . . . 10.0 112.829 -174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.0 -25.86 66.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.73 18.6 78.78 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 115.909 1.124 . . . . 10.0 115.909 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -145.64 176.1 9.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.365 1.466 . . . . 10.0 112.642 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -139.38 171.97 13.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.728 1.611 . . . . 10.0 112.68 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.2 m -54.41 136.61 43.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.501 1.521 . . . . 10.0 114.145 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.4 m -127.15 -28.77 2.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.672 1.189 . . . . 10.0 112.936 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.72 147.18 53.61 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.128 -0.982 . . . . 10.0 112.529 172.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -145.32 9.62 1.24 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tt -148.95 140.88 23.74 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.491 1.516 . . . . 10.0 110.464 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -152.07 156.37 39.77 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.522 1.529 . . . . 10.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.36 -5.65 0.32 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.723 1.379 . . . . 10.0 114.723 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.02 124.5 22.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.193 0.997 . . . . 10.0 111.577 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.31 -163.42 35.53 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.525 1.06 . . . . 10.0 113.303 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.1 pt -134.13 166.43 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.268 1.827 . . . . 10.0 111.074 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.32 155.58 70.13 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.179 1.392 . . . . 10.0 111.864 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.64 8.53 1.89 Allowed 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.245 3.297 . . . . 10.0 114.769 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -53.14 -29.9 33.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.395 1.478 . . . . 10.0 114.078 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -58.25 -30.31 66.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.41 1.084 . . . . 10.0 113.412 171.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.378 25.0 ttt -95.18 -13.6 24.85 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 170.679 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -65.06 -37.96 89.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.004 -1.685 . . . . 10.0 106.802 166.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -37.83 87.97 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.71 1.604 . . . . 10.0 112.314 168.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.7 mm? -56.49 -50.74 70.89 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.848 1.658 . . . . 10.0 110.158 170.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -65.98 -35.09 79.64 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.451 0.469 . . . . 10.0 111.132 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.47 -47.74 69.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.434 2.293 . . . . 10.0 112.742 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.29 -36.18 34.8 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.751 1.159 . . . . 10.0 112.638 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -65.85 -27.27 68.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.742 1.617 . . . . 10.0 111.031 170.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.13 -37.57 38.23 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.084 1.354 . . . . 10.0 111.629 168.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.39 -42.89 96.84 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.63 1.172 . . . . 10.0 111.034 174.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.34 -60.17 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 125.884 1.674 . . . . 10.0 108.808 169.735 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -40.03 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.771 0.429 . . . . 10.0 111.675 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.13 72.53 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.3 -0.875 . . . . 10.0 112.275 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.393 3.0 t60 -72.37 -19.24 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.322 1.849 . . . . 10.0 112.034 170.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.42 -40.97 28.69 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.513 1.506 . . . . 10.0 109.806 168.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -68.17 -37.74 81.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.305 1.412 . . . . 10.0 111.517 174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -64.51 -26.72 68.55 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.257 -0.902 . . . . 10.0 109.572 168.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.703 HD13 ' HB3' ' A' ' 87' ' ' LEU . 18.1 tp -73.31 -49.84 25.38 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 117.617 -1.182 . . . . 10.0 112.173 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -58.53 -38.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 121.166 1.803 . . . . 10.0 110.626 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -66.32 -40.46 89.94 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 116.134 -1.889 . . . . 10.0 109.432 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.67 75.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 122.313 2.324 . . . . 10.0 111.95 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -43.85 97.44 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.277 0.944 . . . . 10.0 110.281 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.58 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.03 -37.65 86.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.605 1.962 . . . . 10.0 113.04 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -69.16 -39.43 78.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.714 2.005 . . . . 10.0 109.605 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.369 0.3 OUTLIER -65.4 -35.14 80.05 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 118.778 -0.629 . . . . 10.0 111.487 171.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 1.5 ttpt -65.88 -33.2 75.28 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.012 -1.68 . . . . 10.0 112.933 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.3 -23.24 65.63 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.209 0.913 . . . . 10.0 111.955 169.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.2 -32.8 38.58 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.493 -1.379 . . . . 10.0 112.012 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.01 -37.89 85.0 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.391 -1.443 . . . . 10.0 110.32 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.9 tptt -56.9 -38.41 72.76 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.3 1.04 . . . . 10.0 110.436 169.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.6 -37.15 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -78.16 -21.79 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 118.868 0.758 . . . . 10.0 112.494 169.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.53 -36.96 85.92 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.001 -1.687 . . . . 10.0 111.706 168.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.5 p -112.4 -24.07 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 117.401 2.371 . . . . 10.0 117.401 -166.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.62 70.8 8.91 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.509 0.724 . . . . 10.0 112.392 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.279 3.9 Cg_endo -59.14 48.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 127.634 5.556 . . . . 10.0 119.25 -172.984 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -72.98 150.04 42.81 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 119.762 -1.837 . . . . 10.0 108.692 167.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.89 -22.49 48.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.654 0.74 . . . . 10.0 112.992 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.97 -40.44 85.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 116.103 -1.903 . . . . 10.0 114.334 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -70.21 -25.12 63.26 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 122.836 2.562 . . . . 10.0 110.117 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.5 mttt -75.93 -40.75 53.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.782 1.633 . . . . 10.0 111.272 169.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -69.33 -33.02 72.5 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.999 1.381 . . . . 10.0 114.373 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 m -65.39 -28.57 69.35 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 129.986 3.314 . . . . 10.0 109.122 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -65.07 -51.39 61.71 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 118.338 -1.345 . . . . 10.0 109.76 167.456 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -58.99 -27.27 65.25 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.828 1.251 . . . . 10.0 113.396 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.86 -45.86 56.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.841 2.456 . . . . 10.0 113.548 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.55 -38.3 80.67 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.903 -1.123 . . . . 10.0 111.67 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -62.95 -31.83 73.0 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.188 2.595 . . . . 10.0 111.722 169.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.25 -31.9 68.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.105 0.962 . . . . 10.0 111.884 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.29 63.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 120.116 1.325 . . . . 10.0 109.703 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.59 -38.84 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 121.29 1.859 . . . . 10.0 110.394 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.96 -38.4 82.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.975 1.261 . . . . 10.0 114.023 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 m -55.85 -54.99 37.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.347 1.459 . . . . 10.0 110.652 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.49 -42.42 99.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 129.151 2.98 . . . . 10.0 110.787 -175.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.51 -44.73 70.46 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.999 1.719 . . . . 10.0 111.044 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -57.74 -49.54 76.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.101 0.96 . . . . 10.0 110.22 172.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.6 tppt? -51.62 -60.15 3.47 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 117.5 -1.238 . . . . 10.0 108.816 171.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 3.3 mm? -64.25 -31.26 72.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 116.547 -1.692 . . . . 10.0 115.257 -169.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.96 -46.35 82.06 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 121.285 1.857 . . . . 10.0 111.199 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -33.57 76.27 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.488 1.144 . . . . 10.0 113.871 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.3 tp -71.3 -52.58 18.05 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 131.216 3.806 . . . . 10.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.489 ' HE2' ' HB3' ' A' ' 91' ' ' LEU . 52.4 mtmt -61.91 -29.42 70.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.058 0.943 . . . . 10.0 110.474 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -38.07 61.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 117.293 -1.337 . . . . 10.0 113.202 168.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -55.19 -44.3 75.15 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 120.664 1.575 . . . . 10.0 108.008 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.34 -52.37 65.91 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 117.358 -1.306 . . . . 10.0 112.785 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.55 -25.01 50.94 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.328 1.877 . . . . 10.0 114.388 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.68 -45.16 17.61 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.465 1.106 . . . . 10.0 113.719 169.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.23 56.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.968 2.507 . . . . 10.0 112.517 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.24 -44.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 126.791 2.036 . . . . 10.0 107.948 -169.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.29 4.77 0.46 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.012 2.125 . . . . 10.0 115.171 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.11 -19.53 4.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.152 2.181 . . . . 10.0 112.857 171.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -60.0 -26.33 65.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.553 1.141 . . . . 10.0 111.068 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -70.99 -17.16 62.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 129.145 2.978 . . . . 10.0 114.673 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.083 1.753 . . . . 10.0 112.165 -169.909 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.384 0.135 . . . . 10.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -132.59 35.48 3.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.856 1.262 . . . . 10.0 112.681 -169.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -55.0 -15.98 2.44 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -174.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -58.47 -19.86 40.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.306 1.225 . . . . 10.0 114.306 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -64.79 -14.94 60.87 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.842 -1.161 . . . . 10.0 114.082 171.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -71.73 -16.4 62.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.109 0.964 . . . . 10.0 113.307 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -75.56 -177.86 3.85 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.945 1.298 . . . . 10.0 112.309 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.88 174.67 34.53 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.363 0.983 . . . . 10.0 114.032 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -142.31 156.39 64.21 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 126.765 2.026 . . . . 10.0 111.562 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.29 160.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.901 2.4 . . . . 10.0 112.325 173.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 pp -60.39 151.78 67.5 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.644 1.177 . . . . 10.0 113.138 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.55 163.68 38.21 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.415 2.743 . . . . 10.0 112.374 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -59.55 131.84 88.38 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.42 0.688 . . . . 10.0 111.643 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.61 165.79 26.56 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.423 2.749 . . . . 10.0 113.224 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.7 158.34 44.11 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.749 2.019 . . . . 10.0 110.173 172.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.22 -8.8 1.0 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.709 1.744 . . . . 10.0 115.709 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.06 -169.19 29.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.234 0.921 . . . . 10.0 114.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -143.69 141.3 30.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.355 1.862 . . . . 10.0 109.391 173.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.65 158.64 29.49 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -153.51 160.47 42.53 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.298 1.439 . . . . 10.0 111.275 175.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p -141.47 47.27 1.68 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.181 1.793 . . . . 10.0 111.04 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.42 -25.6 2.66 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.145 2.178 . . . . 10.0 116.818 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -114.34 1.46 14.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.948 1.299 . . . . 10.0 113.603 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.39 -38.72 78.13 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.107 -0.995 . . . . 10.0 111.459 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 t80 61.31 -49.28 0.12 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 129.155 2.982 . . . . 10.0 117.23 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -69.34 158.45 35.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.804 1.242 . . . . 10.0 114.015 -173.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.39 162.65 17.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.927 1.291 . . . . 10.0 113.453 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.67 1.67 0.03 OUTLIER Glycine 0 CA--C 1.54 1.631 0 N-CA-C 116.645 1.418 . . . . 10.0 116.645 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 tp -153.03 161.6 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.116 1.766 . . . . 10.0 109.911 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -139.65 152.16 67.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.332 1.453 . . . . 10.0 111.001 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -10.38 26.25 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.261 2.641 . . . . 10.0 114.219 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.26 -13.89 22.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.845 -1.159 . . . . 10.0 112.873 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.436 59.4 ttp -100.29 -17.22 17.4 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 114.717 1.376 . . . . 10.0 114.717 -177.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.93 -40.39 96.34 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 106.877 -1.527 . . . . 10.0 106.877 165.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -59.09 -38.38 79.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.206 1.803 . . . . 10.0 112.154 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.3 mm? -57.58 -51.1 70.86 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 121.08 1.763 . . . . 10.0 110.113 169.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -65.12 -34.34 78.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 120.632 -0.427 . . . . 10.0 111.13 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.22 -49.35 61.3 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.601 2.36 . . . . 10.0 112.939 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.24 -36.29 34.87 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 119.591 1.087 . . . . 10.0 112.899 -171.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -26.57 67.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.267 1.427 . . . . 10.0 111.0 170.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.1 -38.29 31.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.842 1.257 . . . . 10.0 111.291 169.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.72 -43.33 90.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.89 1.276 . . . . 10.0 111.185 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -48.7 -56.93 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 C-N-CA 125.946 1.698 . . . . 10.0 108.907 169.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -41.35 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.867 0.867 . . . . 10.0 112.188 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.73 69.8 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.224 -0.923 . . . . 10.0 112.189 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.373 3.1 t60 -72.55 -19.48 61.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.02 1.728 . . . . 10.0 111.965 169.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.14 -41.36 28.72 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.39 -1.444 . . . . 10.0 109.521 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -39.5 90.98 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.954 1.252 . . . . 10.0 111.143 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.22 -23.97 67.5 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.911 -1.118 . . . . 10.0 110.2 168.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.4 tp -78.0 -41.78 34.74 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.657 -1.163 . . . . 10.0 112.919 173.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.2 m -60.77 -41.83 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 120.522 1.51 . . . . 10.0 110.327 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.9 m -66.37 -39.29 89.03 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 116.665 -1.636 . . . . 10.0 109.535 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.32 79.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 121.063 1.756 . . . . 10.0 111.105 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -62.03 -48.18 81.4 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.851 0.75 . . . . 10.0 110.253 169.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -62.38 -29.48 70.5 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.2 2.2 . . . . 10.0 113.166 176.476 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.27 -41.41 34.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 126.993 2.117 . . . . 10.0 110.194 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 77' ' ' LEU 0.449 0.0 OUTLIER -67.95 -32.84 73.56 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.323 -0.846 . . . . 10.0 111.561 169.958 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -33.57 75.4 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 119.639 -1.913 . . . . 10.0 113.55 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.03 -24.4 62.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.405 1.082 . . . . 10.0 112.133 170.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.48 -30.87 37.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.457 -1.402 . . . . 10.0 111.84 168.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.09 -37.59 84.21 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.229 -1.544 . . . . 10.0 109.524 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.2 tptt -56.76 -36.83 70.25 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 123.724 0.81 . . . . 10.0 110.425 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.95 -39.46 76.04 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 3.2 p -76.24 -21.8 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.741 0.701 . . . . 10.0 112.537 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.54 -37.94 89.29 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 119.928 -1.732 . . . . 10.0 111.73 168.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -110.25 -24.74 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 117.492 2.405 . . . . 10.0 117.492 -166.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -151.33 72.39 8.39 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.429 0.692 . . . . 10.0 112.007 169.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.2 Cg_endo -59.78 53.74 0.07 OUTLIER 'Trans proline' 0 CA--C 1.544 1.005 1 C-N-CA 127.495 5.463 . . . . 10.0 118.806 -173.354 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.24 151.84 38.37 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 119.919 -1.738 . . . . 10.0 108.65 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -51.95 -33.0 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -177.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.6 -42.65 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 CA-C-O 116.336 -1.792 . . . . 10.0 113.575 171.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.34 -23.53 66.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.856 2.571 . . . . 10.0 110.349 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.7 mttt -80.72 -29.91 36.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.504 1.521 . . . . 10.0 112.568 171.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -80.09 -38.4 31.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.799 1.64 . . . . 10.0 113.826 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -58.84 -29.3 66.82 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 130.4 3.48 . . . . 10.0 108.026 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.33 -54.75 32.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.805 -1.158 . . . . 10.0 111.198 167.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -58.56 -25.54 62.63 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.723 1.609 . . . . 10.0 112.965 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.93 -45.49 50.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.016 2.526 . . . . 10.0 113.603 169.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.1 -40.75 82.55 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.964 1.364 . . . . 10.0 111.847 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -64.06 -29.01 70.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.219 2.608 . . . . 10.0 111.717 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.41 66.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.13 0.972 . . . . 10.0 111.324 169.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.13 72.4 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 119.921 1.237 . . . . 10.0 109.279 168.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 58' ' ' LEU . 42.1 t -51.84 -39.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 121.32 1.873 . . . . 10.0 110.778 172.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 t -67.39 -38.03 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.024 1.284 . . . . 10.0 113.817 174.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.2 m -55.73 -54.91 38.5 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.349 1.46 . . . . 10.0 110.449 169.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.25 -43.12 98.92 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 129.094 2.958 . . . . 10.0 110.939 -175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.82 -44.55 69.76 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.089 1.756 . . . . 10.0 111.042 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.4 m -58.09 -48.43 80.2 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.701 0.8 . . . . 10.0 110.245 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -53.65 -60.17 3.66 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 116.767 -1.587 . . . . 10.0 109.131 172.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.8 mm? -62.62 -29.08 70.35 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 121.426 1.921 . . . . 10.0 115.049 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.53 -49.91 57.75 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-N 120.884 1.675 . . . . 10.0 110.922 169.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.39 73.9 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.53 1.165 . . . . 10.0 113.836 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.01 -52.17 15.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 130.114 3.366 . . . . 10.0 109.5 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.597 ' HE3' HD12 ' A' ' 91' ' ' LEU . 65.8 mttt -61.79 -30.16 70.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.407 1.083 . . . . 10.0 110.641 174.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.25 55.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.898 1.679 . . . . 10.0 114.26 169.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.45 -44.67 96.71 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 106.707 -1.59 . . . . 10.0 106.707 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.96 -51.35 68.01 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.385 -1.293 . . . . 10.0 112.281 171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.71 56.25 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 121.385 1.902 . . . . 10.0 114.832 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.75 -46.21 15.82 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.605 1.093 . . . . 10.0 113.625 168.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.4 -53.61 48.79 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 128.309 2.644 . . . . 10.0 112.538 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.24 -44.74 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 126.854 2.062 . . . . 10.0 107.81 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.65 4.84 0.35 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.193 2.197 . . . . 10.0 115.279 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.6 -12.62 4.89 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.475 2.31 . . . . 10.0 113.213 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.51 -26.06 66.98 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.523 1.129 . . . . 10.0 110.535 169.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -70.67 -25.47 63.0 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.162 2.985 . . . . 10.0 114.13 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.648 1.979 . . . . 10.0 112.577 -174.312 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 118.056 -0.974 . . . . 10.0 112.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 102' ' ' VAL . 2.0 mm? -56.18 -49.95 72.58 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.556 1.525 . . . . 10.0 110.224 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.22 -34.73 78.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 120.652 -0.419 . . . . 10.0 110.94 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.29 -49.1 65.6 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.059 2.143 . . . . 10.0 112.806 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.5 -34.8 35.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.266 0.939 . . . . 10.0 113.024 -170.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -67.4 -29.24 68.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.27 1.428 . . . . 10.0 110.734 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.48 -37.44 60.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.165 0.986 . . . . 10.0 110.84 168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.43 -43.95 97.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.579 1.152 . . . . 10.0 111.575 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.1 -57.92 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 C-N-CA 125.86 1.664 . . . . 10.0 108.192 169.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.101 0.96 . . . . 10.0 111.885 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 62.99 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.248 -0.908 . . . . 10.0 112.024 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.327 1.9 t60 -69.42 -19.73 63.79 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.181 1.393 . . . . 10.0 111.485 169.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.93 -43.24 25.11 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.04 -1.662 . . . . 10.0 110.162 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -66.15 -36.32 82.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.584 1.538 . . . . 10.0 111.166 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -66.63 -23.83 66.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.09 -1.006 . . . . 10.0 110.263 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.7 tp -79.15 -42.57 25.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.325 173.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.6 m -60.66 -41.38 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 120.606 1.548 . . . . 10.0 109.824 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 m -67.39 -40.08 85.64 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 115.936 -1.983 . . . . 10.0 109.067 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.87 75.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.24 2.291 . . . . 10.0 111.466 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mmm180 -61.89 -46.42 89.45 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.804 0.729 . . . . 10.0 110.429 169.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.568 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.99 -32.72 74.37 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.075 2.15 . . . . 10.0 113.237 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.568 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.74 -39.7 64.07 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 125.794 1.638 . . . . 10.0 109.418 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 77' ' ' LEU 0.462 0.0 OUTLIER -67.86 -35.31 78.32 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.552 -0.737 . . . . 10.0 111.426 171.936 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -32.49 74.06 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.591 -1.943 . . . . 10.0 113.408 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.03 -25.21 61.72 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.772 1.229 . . . . 10.0 112.434 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.05 -30.73 39.46 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.686 -1.259 . . . . 10.0 111.508 169.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.83 -39.65 87.71 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.199 -1.563 . . . . 10.0 109.25 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.1 tptt -59.9 -22.05 61.88 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 124.439 1.096 . . . . 10.0 111.968 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.84 -45.91 16.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 173.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.0 p -65.25 -19.58 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 120.925 -1.11 . . . . 10.0 111.395 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.02 -48.01 78.02 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.306 -1.496 . . . . 10.0 111.356 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.0 m -88.66 -36.96 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.447 1.499 . . . . 10.0 113.907 -169.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.78 76.47 7.37 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.636 0.774 . . . . 10.0 111.888 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 7.6 Cg_endo -62.09 54.66 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.99 1 C-N-CA 126.851 5.034 . . . . 10.0 117.723 -175.671 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.32 150.35 38.49 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 120.209 -1.557 . . . . 10.0 108.436 167.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.4 t70 -56.49 -24.94 49.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.791 0.805 . . . . 10.0 113.024 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.62 -41.67 88.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 116.189 -1.862 . . . . 10.0 114.803 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -69.44 -24.9 63.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.805 2.548 . . . . 10.0 109.672 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.8 mttt -77.86 -37.59 47.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.186 1.394 . . . . 10.0 111.395 170.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.2 m -70.98 -35.5 72.13 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.024 1.393 . . . . 10.0 114.103 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.0 m -62.7 -28.7 70.13 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 130.02 3.328 . . . . 10.0 108.626 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.644 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -65.25 -53.3 46.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.102 -1.039 . . . . 10.0 110.614 167.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.81 -26.09 63.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.999 1.32 . . . . 10.0 113.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -72.58 -45.72 57.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.867 2.467 . . . . 10.0 113.414 169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.2 -41.43 81.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.904 1.335 . . . . 10.0 111.733 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.6 -28.02 69.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 128.466 2.706 . . . . 10.0 111.728 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.22 65.48 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.3 1.04 . . . . 10.0 111.494 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.78 75.82 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 119.912 1.233 . . . . 10.0 109.228 168.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.489 HG21 HD12 ' A' ' 58' ' ' LEU . 42.3 t -51.47 -39.8 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 120.901 1.682 . . . . 10.0 110.712 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.8 t -67.97 -38.17 82.41 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.988 1.267 . . . . 10.0 113.847 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.1 m -55.2 -55.2 33.97 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.355 1.462 . . . . 10.0 110.545 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.56 -43.85 97.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 129.262 3.025 . . . . 10.0 111.212 -175.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.38 -43.22 73.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.01 1.724 . . . . 10.0 110.809 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.1 m -57.76 -49.45 76.56 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.756 0.822 . . . . 10.0 110.244 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.01 -60.21 3.57 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-O 116.871 -1.537 . . . . 10.0 109.174 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.82 -27.64 69.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 120.781 1.628 . . . . 10.0 114.421 -171.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.37 -50.2 51.81 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.788 1.631 . . . . 10.0 110.715 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -31.74 72.96 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -76.05 -52.64 9.76 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.225 3.41 . . . . 10.0 109.859 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HE2' HD12 ' A' ' 91' ' ' LEU . 45.9 mttm -61.89 -29.14 70.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.095 0.958 . . . . 10.0 110.839 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -36.77 61.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 117.162 -1.399 . . . . 10.0 113.07 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -56.33 -45.03 80.54 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.592 1.542 . . . . 10.0 107.76 168.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -58.93 -51.66 69.09 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 117.273 -1.346 . . . . 10.0 112.543 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.58 52.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.473 1.942 . . . . 10.0 114.31 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.75 -45.93 16.25 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.454 1.101 . . . . 10.0 113.649 168.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.0 -53.48 52.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.231 2.612 . . . . 10.0 112.629 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.408 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t . . . . . 0 N--CA 1.442 -0.849 0 C-N-CA 126.919 2.088 . . . . 10.0 107.786 -169.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 118.231 -0.89 . . . . 10.0 111.811 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 101' ' ' LEU . 2.6 mm? -58.21 -51.2 70.76 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.608 1.549 . . . . 10.0 109.547 169.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.24 -29.07 68.61 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 120.077 -0.649 . . . . 10.0 111.384 -169.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -71.72 -47.12 56.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.606 2.762 . . . . 10.0 113.902 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -36.35 31.07 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.609 1.163 . . . . 10.0 113.399 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -26.15 67.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.803 1.641 . . . . 10.0 110.486 170.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -79.74 -36.4 37.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.759 1.224 . . . . 10.0 111.269 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -62.05 -41.83 98.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.8 0.84 . . . . 10.0 111.557 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.17 -56.2 4.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 125.911 1.684 . . . . 10.0 107.734 169.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -66.79 -40.39 88.11 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.282 1.033 . . . . 10.0 112.44 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.73 60.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.714 1.143 . . . . 10.0 112.352 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.605 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.297 2.1 t60 -70.06 -20.6 63.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.601 1.16 . . . . 10.0 111.041 169.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.71 -43.2 38.45 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 120.285 -1.509 . . . . 10.0 109.761 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.46 -39.24 91.77 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.339 1.427 . . . . 10.0 111.123 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.56 -24.62 67.66 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.96 -1.088 . . . . 10.0 110.258 168.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' A' ' 87' ' ' LEU . 24.0 tp -77.76 -41.4 37.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.589 -1.196 . . . . 10.0 113.335 173.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.7 m -61.46 -40.91 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.844 1.657 . . . . 10.0 110.042 169.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -66.28 -42.14 88.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 116.419 -1.753 . . . . 10.0 108.693 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.98 -34.56 74.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 121.86 2.118 . . . . 10.0 111.546 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -62.12 -46.07 90.65 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 118.623 0.647 . . . . 10.0 110.434 169.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.589 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.28 -34.74 79.07 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.736 2.014 . . . . 10.0 112.924 177.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -71.83 -39.32 69.87 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.35 1.46 . . . . 10.0 109.371 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 HD11 ' A' ' 77' ' ' LEU 0.453 0.0 OUTLIER -68.89 -35.47 76.9 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 118.447 -0.787 . . . . 10.0 111.631 172.022 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.4 74.01 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.604 -1.935 . . . . 10.0 113.207 169.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.81 -25.31 61.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.853 1.261 . . . . 10.0 112.39 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.23 -30.69 38.58 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.768 -1.207 . . . . 10.0 111.718 169.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.64 -39.55 88.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.18 -1.575 . . . . 10.0 109.215 168.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.3 tptt -60.13 -21.55 61.73 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.635 1.174 . . . . 10.0 111.974 169.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.88 -46.24 15.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.2 1.556 . . . . 10.0 115.2 172.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.336 2.9 p -65.27 -19.57 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.033 -1.042 . . . . 10.0 111.449 169.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.92 -47.9 78.71 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.408 -1.432 . . . . 10.0 111.34 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.42 -37.39 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.298 1.439 . . . . 10.0 113.844 -169.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.22 78.02 6.61 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.526 0.73 . . . . 10.0 111.374 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.6 Cg_endo -61.39 53.84 0.1 Allowed 'Trans proline' 0 CA--C 1.546 1.094 1 C-N-CA 126.942 5.095 . . . . 10.0 117.581 -176.276 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.428 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.3 m-20 -74.48 148.72 40.77 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.343 -1.473 . . . . 10.0 108.487 167.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 80.0 m-20 -57.56 -23.4 50.35 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.05 -41.32 87.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 CA-C-O 116.104 -1.903 . . . . 10.0 114.443 169.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.39 -26.0 64.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.857 2.571 . . . . 10.0 109.729 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -76.5 -36.15 57.96 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.469 1.508 . . . . 10.0 111.809 169.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 m -73.74 -35.27 65.03 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 122.993 1.378 . . . . 10.0 114.036 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.3 m -62.44 -28.91 70.13 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 130.3 3.44 . . . . 10.0 108.314 168.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.82 -53.59 44.47 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.166 -1.014 . . . . 10.0 110.812 167.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -59.18 -24.97 63.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.109 1.364 . . . . 10.0 113.076 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -73.92 -45.49 50.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.021 2.528 . . . . 10.0 113.492 169.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.19 -41.52 81.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.745 1.259 . . . . 10.0 111.667 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -63.91 -26.66 68.7 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.548 2.739 . . . . 10.0 111.69 169.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.22 65.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.111 0.964 . . . . 10.0 111.243 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.7 83.64 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 120.554 1.524 . . . . 10.0 109.586 168.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 58' ' ' LEU . 38.1 t -51.32 -39.16 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 120.832 1.651 . . . . 10.0 110.397 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -69.03 -36.94 78.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.292 1.405 . . . . 10.0 113.747 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -55.89 -54.6 42.71 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.042 1.337 . . . . 10.0 110.248 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.746 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.23 -42.37 99.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.081 2.952 . . . . 10.0 111.161 -175.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.23 -41.85 66.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.192 1.797 . . . . 10.0 111.01 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -47.95 81.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.674 0.789 . . . . 10.0 110.112 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.19 -60.36 3.5 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 116.45 -1.738 . . . . 10.0 109.149 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.84 -28.38 69.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 121.973 2.169 . . . . 10.0 114.361 -172.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.92 -51.36 51.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 120.595 1.543 . . . . 10.0 110.77 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.68 80.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.897 1.348 . . . . 10.0 113.628 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.2 tp -69.13 -51.9 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 129.889 3.276 . . . . 10.0 109.794 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE3' HD12 ' A' ' 91' ' ' LEU . 74.0 mttt -63.86 -30.19 71.3 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.128 0.971 . . . . 10.0 110.689 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -36.58 63.96 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 117.394 -1.289 . . . . 10.0 112.865 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -56.32 -45.1 80.46 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 120.276 1.398 . . . . 10.0 107.76 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.76 -51.22 70.45 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 117.412 -1.28 . . . . 10.0 112.47 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.37 58.58 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 121.463 1.938 . . . . 10.0 114.758 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.43 -43.89 20.21 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.429 1.013 . . . . 10.0 113.544 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.32 -53.17 59.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.144 2.578 . . . . 10.0 112.714 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.442 -0.848 0 C-N-CA 126.989 2.116 . . . . 10.0 107.849 -169.593 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.34 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -56.24 -49.83 73.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.833 1.651 . . . . 10.0 110.266 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -65.84 -32.88 74.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 120.375 -0.53 . . . . 10.0 111.53 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.48 -46.86 58.74 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.266 2.226 . . . . 10.0 112.938 169.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -35.54 34.88 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 119.689 1.132 . . . . 10.0 113.178 -171.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.97 -28.63 68.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.98 1.312 . . . . 10.0 110.482 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.89 -39.03 61.71 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.783 1.233 . . . . 10.0 111.153 168.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.22 -42.94 99.48 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.571 1.149 . . . . 10.0 111.407 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.84 -57.41 2.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 125.774 1.629 . . . . 10.0 108.494 169.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -36.03 78.34 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.42 0.688 . . . . 10.0 112.429 -173.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -39.79 48.08 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 120.738 -1.226 . . . . 10.0 112.456 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.62 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.292 2.1 t60 -70.26 -21.8 62.94 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.993 1.317 . . . . 10.0 110.622 169.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 -44.13 41.78 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.203 -1.561 . . . . 10.0 109.863 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.71 -38.92 90.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.507 1.503 . . . . 10.0 111.301 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.18 -26.07 68.36 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.346 -0.846 . . . . 10.0 110.283 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.6 tp -74.2 -48.13 31.0 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.156 -0.926 . . . . 10.0 112.853 172.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -59.34 -38.54 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 120.983 1.72 . . . . 10.0 110.297 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -67.45 -39.73 85.38 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 115.984 -1.96 . . . . 10.0 110.182 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.49 81.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.514 1.961 . . . . 10.0 111.317 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -49.04 76.66 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.71 0.686 . . . . 10.0 109.778 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.67 -33.97 70.72 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.144 1.778 . . . . 10.0 112.543 176.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -75.24 -42.04 56.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 128.275 2.63 . . . . 10.0 110.968 177.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 77' ' ' LEU 0.441 0.0 OUTLIER -66.52 -33.53 75.89 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.501 -0.761 . . . . 10.0 111.097 170.182 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -67.87 -34.38 76.57 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 119.722 -1.861 . . . . 10.0 113.493 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.87 -24.34 65.23 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.679 1.127 . . . . 10.0 111.947 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.61 -30.2 36.79 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.505 -1.372 . . . . 10.0 111.748 168.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.57 -37.97 86.07 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.136 -1.603 . . . . 10.0 109.509 169.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.502 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.2 tptt -57.22 -36.61 71.1 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.3 1.04 . . . . 10.0 110.395 169.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -39.51 75.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.317 3.4 p -76.13 -21.57 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 O-C-N 121.435 -0.791 . . . . 10.0 112.497 169.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.78 -37.41 87.53 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.932 -1.73 . . . . 10.0 111.83 168.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -111.2 -24.51 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 117.386 2.365 . . . . 10.0 117.386 -166.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -150.75 71.63 8.84 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.435 0.694 . . . . 10.0 112.194 169.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.277 4.6 Cg_endo -59.83 53.09 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 1 C-N-CA 127.376 5.384 . . . . 10.0 118.972 -173.189 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.99 150.58 38.94 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 119.834 -1.791 . . . . 10.0 108.93 167.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 31.2 t70 -56.41 -25.77 51.2 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.096 0.95 . . . . 10.0 113.082 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -40.92 88.18 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 CA-C-O 116.148 -1.882 . . . . 10.0 114.521 169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -68.83 -24.46 64.38 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 122.813 2.551 . . . . 10.0 109.919 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.9 mttt -79.71 -29.9 40.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.661 1.584 . . . . 10.0 112.334 171.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -80.08 -35.8 36.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 123.17 1.462 . . . . 10.0 113.972 172.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.0 m -61.36 -28.84 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.06 3.344 . . . . 10.0 108.108 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.32 -53.76 47.63 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.082 -1.047 . . . . 10.0 111.156 168.082 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -59.81 -25.84 65.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.708 1.603 . . . . 10.0 112.61 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -72.81 -46.0 55.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.999 2.519 . . . . 10.0 113.171 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.34 -40.99 81.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.894 1.331 . . . . 10.0 111.988 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.92 -29.27 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 128.343 2.657 . . . . 10.0 111.705 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.34 -32.23 66.33 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.305 1.042 . . . . 10.0 111.402 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.09 -48.15 71.91 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.975 1.261 . . . . 10.0 109.284 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 58' ' ' LEU . 41.1 t -51.61 -40.16 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 121.138 1.79 . . . . 10.0 110.482 172.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -67.79 -37.69 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.182 1.355 . . . . 10.0 113.973 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.5 m -55.71 -55.51 31.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.354 1.462 . . . . 10.0 110.548 169.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.13 99.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 129.323 3.049 . . . . 10.0 111.202 -175.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.56 -42.71 70.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.178 1.791 . . . . 10.0 110.814 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -57.9 -48.98 78.29 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.749 0.82 . . . . 10.0 110.12 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.31 -60.34 3.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.018 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.544 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.33 -29.03 70.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.602 2.001 . . . . 10.0 114.573 -171.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.01 -51.06 54.58 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 120.776 1.625 . . . . 10.0 111.086 169.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -33.07 74.46 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.458 1.129 . . . . 10.0 113.69 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.29 -51.95 15.72 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 129.874 3.27 . . . . 10.0 109.912 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -62.29 -30.94 71.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.071 . . . . 10.0 110.732 174.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -35.85 63.38 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 117.485 -1.245 . . . . 10.0 113.147 169.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.32 -44.61 84.33 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.586 1.539 . . . . 10.0 107.788 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.74 -51.84 67.9 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.637 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.29 -24.76 57.03 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.455 1.934 . . . . 10.0 114.446 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -80.53 -44.8 18.49 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.589 1.086 . . . . 10.0 113.732 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.84 -53.25 57.8 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.247 2.619 . . . . 10.0 112.84 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.442 -0.859 0 C-N-CA 126.752 2.021 . . . . 10.0 107.905 -169.525 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 118.102 -0.952 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD11 HG22 ' A' ' 102' ' ' VAL . 2.0 mm? -56.31 -52.94 62.68 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.217 1.371 . . . . 10.0 109.162 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.97 -36.17 79.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.688 -0.805 . . . . 10.0 111.389 -170.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -62.65 -43.71 98.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.046 2.138 . . . . 10.0 113.648 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.81 -36.31 31.86 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 121.141 -0.974 . . . . 10.0 112.757 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -24.55 65.17 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.136 2.175 . . . . 10.0 110.112 170.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.19 -39.48 29.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.512 1.525 . . . . 10.0 110.76 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.05 -41.95 93.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.355 1.062 . . . . 10.0 111.439 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -51.18 -57.99 2.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 125.517 1.527 . . . . 10.0 108.24 169.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -36.63 79.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.956 0.502 . . . . 10.0 112.22 -172.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.97 52.96 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.587 1.085 . . . . 10.0 112.336 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.316 2.1 t60 -69.84 -20.33 63.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.45 1.1 . . . . 10.0 110.948 169.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.79 -44.13 33.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.191 -1.568 . . . . 10.0 109.484 168.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.26 -37.15 84.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.952 1.705 . . . . 10.0 111.503 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -65.45 -25.62 67.59 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.158 -0.964 . . . . 10.0 110.128 168.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.1 tp -76.6 -43.44 38.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.11 0.868 . . . . 10.0 113.154 173.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.86 -38.83 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 CA-C-N 120.514 1.506 . . . . 10.0 110.501 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.0 m -68.29 -34.09 75.52 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 116.097 -1.906 . . . . 10.0 110.289 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.47 81.22 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.508 1.958 . . . . 10.0 110.987 169.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.67 -44.77 92.77 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.108 0.867 . . . . 10.0 110.664 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.18 -31.75 72.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.19 2.196 . . . . 10.0 112.549 178.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.59 -40.91 63.52 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.784 2.033 . . . . 10.0 110.025 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.3 OUTLIER -65.99 -35.66 81.19 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 118.676 -0.678 . . . . 10.0 111.571 170.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.73 72.96 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.755 -1.841 . . . . 10.0 112.542 171.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.78 -23.37 62.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.182 0.993 . . . . 10.0 112.29 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.11 -33.11 38.99 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.551 -1.343 . . . . 10.0 112.029 168.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.5 -38.27 86.87 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.303 -1.498 . . . . 10.0 109.812 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 67' ' ' VAL . 9.9 tptt -60.52 -20.88 61.62 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 124.745 1.218 . . . . 10.0 112.258 169.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.7 -46.15 13.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 172.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.34 3.4 p -65.23 -19.61 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.955 -1.091 . . . . 10.0 111.383 169.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.68 -48.0 78.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.668 1.587 . . . . 10.0 111.545 167.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.9 -37.67 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.531 1.532 . . . . 10.0 113.91 -169.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -152.34 78.34 6.43 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.471 0.708 . . . . 10.0 111.199 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 6.0 Cg_endo -61.13 55.17 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.032 1 C-N-CA 127.006 5.138 . . . . 10.0 117.433 -176.186 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -75.47 149.21 38.54 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 120.356 -1.465 . . . . 10.0 108.68 167.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.5 t70 -56.6 -25.25 52.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.24 -41.44 89.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 CA-C-O 116.193 -1.861 . . . . 10.0 114.695 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.2 -24.47 63.12 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 122.694 2.497 . . . . 10.0 109.558 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.7 mttt -77.98 -40.6 38.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.248 1.419 . . . . 10.0 111.047 170.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -33.2 74.72 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 122.91 1.338 . . . . 10.0 114.198 172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -65.97 -29.3 69.67 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 129.992 3.317 . . . . 10.0 108.866 169.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.02 -51.53 57.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 118.701 -1.2 . . . . 10.0 109.583 167.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.81 -25.26 60.35 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.607 1.163 . . . . 10.0 113.815 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -76.33 -45.18 33.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.089 2.556 . . . . 10.0 113.73 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.44 -39.4 85.4 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.824 -1.173 . . . . 10.0 111.135 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.1 ttt-85 -62.76 -28.68 70.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.478 2.711 . . . . 10.0 111.935 169.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.55 68.33 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.247 -0.883 . . . . 10.0 111.505 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.92 76.18 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 120.518 1.508 . . . . 10.0 110.024 168.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.0 -38.83 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.631 1.56 . . . . 10.0 109.825 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 t -68.76 -38.28 79.98 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 120.534 1.515 . . . . 10.0 113.977 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.5 m -54.77 -55.25 32.08 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.138 1.375 . . . . 10.0 110.352 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.701 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.81 -43.98 97.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.226 3.011 . . . . 10.0 111.066 -175.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -70.71 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.318 1.847 . . . . 10.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 m -58.37 -49.84 75.81 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.789 0.722 . . . . 10.0 110.117 171.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -52.57 -60.02 3.75 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-O 116.486 -1.721 . . . . 10.0 109.088 173.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.7 -29.77 70.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 116.705 -1.617 . . . . 10.0 114.452 -171.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.98 73.2 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.713 1.597 . . . . 10.0 110.595 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -27.41 66.15 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.7 tp -76.66 -49.16 16.85 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 127.941 2.496 . . . . 10.0 108.763 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -64.33 -31.32 72.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.297 1.039 . . . . 10.0 110.62 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -38.42 65.06 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.533 -1.222 . . . . 10.0 112.928 169.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.54 -48.29 69.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 106.93 -1.507 . . . . 10.0 106.93 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.04 -50.77 71.73 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 117.938 -1.03 . . . . 10.0 111.743 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.13 58.55 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.751 1.614 . . . . 10.0 114.882 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.13 -41.29 25.74 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.957 1.095 . . . . 10.0 113.957 170.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.36 -53.45 56.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.824 2.45 . . . . 10.0 112.097 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 37' ' ' LEU . 47.3 t . . . . . 0 N--CA 1.442 -0.854 0 C-N-CA 127.137 2.175 . . . . 10.0 107.733 -169.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 117.973 -1.013 . . . . 10.0 112.385 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 101' ' ' LEU . 3.1 mm? -56.64 -49.85 73.79 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.571 1.532 . . . . 10.0 110.334 170.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.15 -31.82 72.89 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.515 -169.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.59 -47.35 55.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.221 2.208 . . . . 10.0 112.963 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -36.52 33.45 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.562 1.074 . . . . 10.0 113.157 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -66.56 -25.78 66.81 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.494 1.518 . . . . 10.0 110.814 170.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -79.83 -37.64 34.63 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.387 1.075 . . . . 10.0 110.924 168.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.85 -42.65 94.09 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.685 1.194 . . . . 10.0 111.533 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.66 -56.96 3.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 C-N-CA 125.835 1.654 . . . . 10.0 108.247 169.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -35.34 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.009 0.924 . . . . 10.0 112.676 -172.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.03 -39.03 51.63 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.841 -1.162 . . . . 10.0 112.151 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.379 3.1 t60 -72.37 -19.31 61.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.454 1.501 . . . . 10.0 111.512 169.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 -41.33 28.97 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 120.347 -1.471 . . . . 10.0 108.945 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.65 -40.23 95.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.28 1.4 . . . . 10.0 111.475 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.59 -22.98 67.11 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 120.943 -1.098 . . . . 10.0 110.503 168.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.1 tp -78.68 -41.57 30.81 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 117.564 -1.207 . . . . 10.0 112.742 173.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.5 m -60.93 -41.91 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 120.627 1.558 . . . . 10.0 110.187 169.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 m -65.63 -42.16 91.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-O 116.695 -1.621 . . . . 10.0 108.526 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.23 76.52 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 121.592 1.996 . . . . 10.0 111.617 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.4 mmm180 -61.28 -45.56 93.97 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.701 0.682 . . . . 10.0 110.405 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.68 -33.47 75.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.836 2.055 . . . . 10.0 113.331 177.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -72.16 -38.89 69.05 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.202 1.401 . . . . 10.0 109.327 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 77' ' ' LEU 0.461 0.0 OUTLIER -69.29 -35.15 75.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.428 -0.796 . . . . 10.0 111.63 172.32 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -32.99 74.86 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 119.634 -1.916 . . . . 10.0 113.307 169.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.12 -25.35 62.55 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.756 1.223 . . . . 10.0 112.438 171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.01 -31.03 39.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.828 -1.17 . . . . 10.0 111.884 169.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.61 -39.73 88.48 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.175 -1.578 . . . . 10.0 109.44 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.8 tptt -59.93 -21.57 61.29 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 124.592 1.157 . . . . 10.0 112.155 169.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.01 -46.6 14.8 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.263 1.579 . . . . 10.0 115.263 172.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.332 2.9 p -64.94 -19.66 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 121.001 -1.062 . . . . 10.0 111.346 169.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.97 -48.89 74.66 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.364 -1.46 . . . . 10.0 111.382 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.02 -37.89 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.279 1.432 . . . . 10.0 113.972 -169.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.19 78.51 6.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.453 0.701 . . . . 10.0 111.045 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.268 5.8 Cg_endo -60.58 54.75 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 1 C-N-CA 127.005 5.136 . . . . 10.0 117.522 -176.599 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.3 m-20 -74.21 147.7 42.25 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 120.292 -1.505 . . . . 10.0 108.602 167.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.79 -24.03 55.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.051 0.759 . . . . 10.0 113.051 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.04 -40.85 86.37 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.229 0 CA-C-O 116.198 -1.858 . . . . 10.0 114.354 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -69.03 -25.99 64.76 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 122.854 2.57 . . . . 10.0 109.682 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.0 mttt -76.98 -36.77 56.21 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.628 1.571 . . . . 10.0 111.706 170.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -72.88 -35.19 67.09 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 122.986 1.374 . . . . 10.0 114.013 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 m -62.77 -28.88 70.29 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 130.243 3.417 . . . . 10.0 108.464 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.625 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -64.84 -53.51 45.62 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 119.003 -1.079 . . . . 10.0 110.64 167.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -58.62 -26.87 64.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.935 1.294 . . . . 10.0 113.107 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -72.22 -45.55 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.983 2.513 . . . . 10.0 113.455 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.29 -40.76 81.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.657 1.218 . . . . 10.0 111.816 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -64.11 -27.37 69.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.516 2.726 . . . . 10.0 111.745 169.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.75 63.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.555 1.142 . . . . 10.0 111.619 169.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.21 75.36 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 120.178 1.354 . . . . 10.0 108.981 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 58' ' ' LEU . 40.3 t -51.77 -39.51 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 120.844 1.656 . . . . 10.0 110.578 172.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -67.86 -36.71 80.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.228 1.376 . . . . 10.0 113.95 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -56.87 -55.09 38.93 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.125 1.37 . . . . 10.0 110.443 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.0 -42.14 98.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 129.029 2.932 . . . . 10.0 110.763 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.55 -43.07 70.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.151 1.78 . . . . 10.0 111.069 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 m -58.25 -49.17 78.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.942 0.897 . . . . 10.0 110.178 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.65 -60.26 3.54 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 117.058 -1.448 . . . . 10.0 108.913 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.16 -27.37 69.33 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 121.532 1.969 . . . . 10.0 114.752 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.55 -50.06 51.79 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 121.027 1.739 . . . . 10.0 111.013 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -34.13 76.97 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.125 0.963 . . . . 10.0 113.571 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.9 tp -72.66 -53.3 12.15 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 130.852 3.661 . . . . 10.0 110.312 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.0 mttm -60.98 -28.77 69.25 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.069 0.948 . . . . 10.0 110.502 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -38.07 59.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.362 1.465 . . . . 10.0 113.447 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -55.7 -43.52 76.53 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 120.562 1.528 . . . . 10.0 107.84 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . 2.0 mp -58.58 -52.6 64.99 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.407 -1.282 . . . . 10.0 113.013 171.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.29 -25.1 47.22 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 121.387 1.903 . . . . 10.0 114.309 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.58 -45.16 17.81 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.538 1.135 . . . . 10.0 113.694 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.1 mp -54.31 -53.11 58.28 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.168 2.587 . . . . 10.0 112.725 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.441 -0.885 0 C-N-CA 126.849 2.059 . . . . 10.0 107.78 -169.576 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 118.131 -0.937 . . . . 10.0 112.482 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.65 -49.71 75.58 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.816 1.644 . . . . 10.0 110.293 169.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.84 -28.21 68.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 120.314 -0.554 . . . . 10.0 111.726 -169.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -74.53 -47.72 31.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.96 2.904 . . . . 10.0 113.452 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.72 -37.11 27.83 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -174.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.08 67.64 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.077 1.351 . . . . 10.0 110.486 170.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.16 -38.4 36.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.595 1.158 . . . . 10.0 111.102 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -59.62 -42.62 93.09 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.702 0.801 . . . . 10.0 111.698 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -49.26 -57.25 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 C-N-CA 125.64 1.576 . . . . 10.0 108.751 169.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.98 -40.94 87.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.099 0.959 . . . . 10.0 112.025 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -36.8 63.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.411 1.005 . . . . 10.0 112.606 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.63 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.308 1.9 t60 -73.68 -20.31 60.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.391 1.476 . . . . 10.0 110.86 170.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.93 -42.74 32.04 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.201 -1.562 . . . . 10.0 109.906 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.48 -39.51 88.8 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 120.129 1.331 . . . . 10.0 111.035 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.88 -24.6 67.8 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.037 -1.039 . . . . 10.0 110.228 168.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.23 -42.92 35.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.677 -1.154 . . . . 10.0 113.674 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.3 m -60.88 -42.51 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.649 1.568 . . . . 10.0 110.346 170.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.6 m -66.8 -37.46 84.58 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 116.558 -1.687 . . . . 10.0 109.35 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.15 79.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 121.215 1.825 . . . . 10.0 111.154 172.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.1 mmm180 -63.48 -45.99 88.21 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.24 0.927 . . . . 10.0 110.365 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -28.3 69.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.192 2.197 . . . . 10.0 113.077 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -40.7 26.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.934 2.093 . . . . 10.0 109.952 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.347 0.3 OUTLIER -65.7 -34.76 78.96 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.716 -0.659 . . . . 10.0 111.219 169.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.64 72.72 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 119.732 -1.855 . . . . 10.0 112.645 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.43 -23.13 61.79 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.325 1.05 . . . . 10.0 112.057 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.32 -32.81 37.86 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.412 -1.43 . . . . 10.0 112.202 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.8 -37.43 82.0 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.463 -1.398 . . . . 10.0 109.966 169.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.6 tptt -56.79 -37.8 71.65 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.749 0.819 . . . . 10.0 110.363 169.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -38.22 75.41 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.31 4.2 p -77.25 -21.74 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-N 118.896 0.771 . . . . 10.0 112.488 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.48 -38.84 92.42 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 120.135 -1.603 . . . . 10.0 111.602 168.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -109.63 -24.58 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 117.329 2.344 . . . . 10.0 117.329 -166.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -151.29 72.56 8.42 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.386 0.674 . . . . 10.0 111.947 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 3.3 Cg_endo -58.72 49.85 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.118 1 C-N-CA 127.566 5.511 . . . . 10.0 119.114 -173.773 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 82.9 m-20 -72.79 149.16 43.88 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 119.81 -1.806 . . . . 10.0 108.744 167.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.3 m-20 -56.95 -26.32 59.42 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.754 0.649 . . . . 10.0 112.754 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.0 -40.75 90.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.159 0 CA-C-O 116.377 -1.773 . . . . 10.0 114.7 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.17 -24.41 64.06 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 122.531 2.423 . . . . 10.0 109.922 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.3 mttt -76.76 -43.36 37.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.613 1.565 . . . . 10.0 111.183 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.05 -33.86 76.75 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -64.58 -30.1 71.13 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 129.586 3.155 . . . . 10.0 109.177 169.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.2 tm? -65.18 -51.47 60.87 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 118.29 -1.364 . . . . 10.0 109.774 167.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -57.8 -26.74 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.544 1.138 . . . . 10.0 113.604 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -75.22 -44.49 46.02 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.965 2.506 . . . . 10.0 113.726 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -68.71 -38.63 80.38 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.819 -1.176 . . . . 10.0 111.618 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -62.81 -31.0 71.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.077 2.551 . . . . 10.0 111.705 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.42 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.012 0.925 . . . . 10.0 111.843 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.83 61.35 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 120.084 1.311 . . . . 10.0 109.615 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -51.39 -38.09 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 120.955 1.707 . . . . 10.0 110.3 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -68.93 -39.05 79.81 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.922 1.237 . . . . 10.0 114.005 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -55.19 32.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.337 1.455 . . . . 10.0 110.57 169.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.11 -43.37 98.98 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.424 3.09 . . . . 10.0 111.159 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.41 -43.39 70.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.894 1.678 . . . . 10.0 110.823 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.1 m -56.93 -49.88 74.29 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.105 0.962 . . . . 10.0 109.828 171.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.3 -60.51 3.21 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.541 -1.695 . . . . 10.0 108.9 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.414 1.916 . . . . 10.0 114.935 -170.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.76 -50.71 52.03 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.548 1.522 . . . . 10.0 110.641 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -33.96 75.17 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.097 0.948 . . . . 10.0 113.432 175.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -72.88 -52.98 12.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 130.611 3.564 . . . . 10.0 109.983 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -61.53 -30.33 70.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.128 0.971 . . . . 10.0 110.571 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -34.53 60.51 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.917 1.287 . . . . 10.0 113.338 168.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.72 -43.34 85.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 120.501 1.5 . . . . 10.0 107.53 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.82 -52.16 66.89 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 117.289 -1.339 . . . . 10.0 113.114 172.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.28 -24.86 57.65 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 121.428 1.922 . . . . 10.0 114.236 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.49 -44.08 19.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.471 1.109 . . . . 10.0 113.674 169.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -52.82 62.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.223 2.609 . . . . 10.0 112.766 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.443 -0.82 0 C-N-CA 126.647 1.979 . . . . 10.0 107.826 -169.537 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 118.046 -0.978 . . . . 10.0 111.761 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD11 HG22 ' A' ' 102' ' ' VAL . 1.9 mm? -57.25 -51.52 69.02 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.621 1.555 . . . . 10.0 109.505 169.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.05 -25.66 65.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 120.55 -0.46 . . . . 10.0 112.178 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -78.84 -42.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.75 2.82 . . . . 10.0 114.009 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -36.89 30.34 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.913 -1.117 . . . . 10.0 112.941 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -24.46 66.61 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.672 1.589 . . . . 10.0 110.676 169.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.02 -39.59 29.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.362 1.465 . . . . 10.0 111.154 169.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.54 -42.34 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 10.0 111.84 171.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.446 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.47 -57.19 2.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 C-N-CA 125.6 1.56 . . . . 10.0 108.551 169.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.04 80.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.056 0.542 . . . . 10.0 111.927 -172.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -43.84 61.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.608 1.094 . . . . 10.0 112.26 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.62 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.324 2.0 t60 -68.18 -20.0 64.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.81 1.244 . . . . 10.0 111.44 170.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -78.09 -42.88 30.72 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 120.179 -1.576 . . . . 10.0 109.749 168.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -66.13 -37.91 86.86 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.677 1.581 . . . . 10.0 111.238 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.12 -24.01 67.3 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -0.969 . . . . 10.0 110.147 168.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 87' ' ' LEU . 20.9 tp -79.65 -42.92 23.81 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 117.708 -1.139 . . . . 10.0 113.51 174.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.9 m -60.2 -41.89 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 120.586 1.539 . . . . 10.0 109.997 170.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.9 m -69.03 -34.5 75.32 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 116.047 -1.93 . . . . 10.0 110.339 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.05 79.55 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.54 1.973 . . . . 10.0 111.189 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -64.09 -45.92 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.211 0.914 . . . . 10.0 110.546 169.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.87 -29.7 70.66 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.408 2.283 . . . . 10.0 112.893 178.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -76.96 -42.26 39.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 127.097 2.159 . . . . 10.0 110.127 174.105 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -65.02 -33.54 76.29 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 118.607 -0.711 . . . . 10.0 111.561 171.069 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -30.93 71.38 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 119.859 -1.776 . . . . 10.0 112.854 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.99 -22.72 60.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.342 1.057 . . . . 10.0 111.858 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.22 -32.54 38.47 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.364 -1.46 . . . . 10.0 111.69 168.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.91 -37.1 81.27 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.511 -1.368 . . . . 10.0 110.017 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 18.5 tptt -57.19 -37.62 72.43 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.492 0.717 . . . . 10.0 110.393 169.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.2 -38.07 75.23 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -77.36 -21.85 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.943 0.792 . . . . 10.0 112.456 169.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.16 -38.24 90.34 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.098 -1.626 . . . . 10.0 111.472 168.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.9 p -109.65 -24.72 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -166.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -151.29 72.96 8.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.314 0.645 . . . . 10.0 111.859 169.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.3 Cg_endo -59.64 50.03 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.142 1 C-N-CA 127.382 5.388 . . . . 10.0 118.974 -173.84 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 80.1 m-20 -73.48 149.87 42.02 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 119.943 -1.723 . . . . 10.0 108.643 167.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 77.4 m-20 -57.66 -23.03 49.22 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.56 -41.08 87.83 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 CA-C-O 116.185 -1.864 . . . . 10.0 114.376 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -69.99 -25.2 63.49 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 122.753 2.524 . . . . 10.0 109.968 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -76.06 -41.65 49.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.61 1.564 . . . . 10.0 111.056 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -67.84 -32.81 73.59 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 122.844 1.306 . . . . 10.0 114.364 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.3 m -66.54 -29.5 69.6 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 130.087 3.355 . . . . 10.0 108.963 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -65.86 -51.15 61.3 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 118.405 -1.318 . . . . 10.0 109.401 167.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.91 -26.26 61.94 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.485 1.114 . . . . 10.0 113.728 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -75.44 -45.25 39.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.859 2.463 . . . . 10.0 113.767 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.92 -39.22 83.56 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.898 -1.126 . . . . 10.0 111.375 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -62.88 -30.38 71.48 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 128.379 2.671 . . . . 10.0 111.845 169.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.41 69.14 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.008 0.923 . . . . 10.0 111.678 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.62 65.26 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.932 1.242 . . . . 10.0 109.378 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.7 -38.26 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 121.019 1.736 . . . . 10.0 110.307 173.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -69.2 -37.83 78.29 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 120.069 1.304 . . . . 10.0 113.975 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.4 m -55.88 -54.96 38.32 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.398 1.479 . . . . 10.0 110.312 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.745 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.91 -42.77 99.9 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 129.456 3.102 . . . . 10.0 111.197 -175.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.34 -42.37 68.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.886 1.674 . . . . 10.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -57.65 -48.64 78.92 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.64 0.776 . . . . 10.0 110.029 171.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.81 -60.41 3.4 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 116.725 -1.607 . . . . 10.0 109.158 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.75 -26.79 68.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 121.684 2.038 . . . . 10.0 114.332 -171.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.66 -51.66 39.89 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.517 1.508 . . . . 10.0 110.585 168.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -34.11 75.03 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.712 1.256 . . . . 10.0 113.492 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.4 tp -73.02 -53.5 10.99 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 130.133 3.373 . . . . 10.0 110.013 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.2 mttm -61.92 -28.79 69.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.036 0.934 . . . . 10.0 110.638 174.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -34.16 58.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.703 1.601 . . . . 10.0 113.863 169.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -59.46 -44.59 92.97 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 120.419 1.463 . . . . 10.0 107.063 168.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.68 -52.04 67.08 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.429 171.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.1 -24.48 54.31 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.444 1.929 . . . . 10.0 114.333 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -80.68 -45.83 16.54 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.455 1.102 . . . . 10.0 113.613 169.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.03 -52.94 59.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.346 2.658 . . . . 10.0 112.529 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 42.4 t . . . . . 0 N--CA 1.442 -0.839 0 C-N-CA 126.822 2.049 . . . . 10.0 107.878 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 118.017 -0.992 . . . . 10.0 112.079 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 101' ' ' LEU . 2.7 mm? -57.81 -51.19 70.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.9 1.682 . . . . 10.0 109.645 169.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.58 -30.36 70.64 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 120.306 -0.557 . . . . 10.0 111.369 -169.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -71.61 -46.59 58.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.645 2.778 . . . . 10.0 114.11 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -36.82 29.56 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 124.855 1.262 . . . . 10.0 113.756 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -26.13 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.418 1.487 . . . . 10.0 110.573 170.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.5 -38.49 34.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 10.0 110.891 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -39.04 87.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.177 -0.952 . . . . 10.0 112.036 172.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.81 -57.16 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 125.69 1.596 . . . . 10.0 107.788 169.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -35.58 79.35 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.519 1.128 . . . . 10.0 112.691 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.08 36.23 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 120.614 -1.304 . . . . 10.0 112.605 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.305 2.2 t60 -73.63 -20.4 60.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.255 1.022 . . . . 10.0 110.447 169.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.87 -42.68 38.93 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 120.388 -1.445 . . . . 10.0 109.582 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.03 -39.71 90.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 120.016 1.28 . . . . 10.0 111.093 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -63.73 -24.31 67.72 Favored 'General case' 0 C--O 1.225 -0.21 0 O-C-N 121.204 -0.935 . . . . 10.0 110.247 168.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.3 tp -78.06 -43.01 30.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.675 -1.155 . . . . 10.0 113.732 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.5 m -60.68 -42.42 91.87 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 120.775 1.625 . . . . 10.0 110.293 169.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -67.44 -35.47 79.3 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 116.371 -1.776 . . . . 10.0 109.668 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.47 81.25 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.38 1.9 . . . . 10.0 111.122 171.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -63.57 -45.14 91.8 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.171 0.896 . . . . 10.0 110.499 169.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -29.4 70.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.101 2.161 . . . . 10.0 112.691 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -39.83 37.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.839 2.056 . . . . 10.0 109.586 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.8 -37.1 85.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.935 -0.555 . . . . 10.0 110.851 169.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -65.38 -32.29 73.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 119.589 -1.944 . . . . 10.0 112.633 171.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 38.1 t70 -70.51 -22.78 62.6 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.595 1.158 . . . . 10.0 112.399 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.35 -33.34 37.4 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.535 -1.353 . . . . 10.0 112.204 168.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -66.18 -39.47 89.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.378 -1.451 . . . . 10.0 109.509 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . 1.4 tptm -61.1 -19.86 61.95 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.195 1.398 . . . . 10.0 112.257 169.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.94 -45.79 13.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 171.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.347 3.5 p -65.36 -19.51 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 120.895 -1.128 . . . . 10.0 111.402 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.6 -48.94 75.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.282 1.433 . . . . 10.0 111.163 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.5 m -87.76 -37.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.422 1.489 . . . . 10.0 113.888 -169.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.01 76.51 7.19 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.518 0.727 . . . . 10.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.8 Cg_endo -61.66 54.78 0.11 Allowed 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.914 5.076 . . . . 10.0 117.664 -175.311 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -75.44 150.44 38.27 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 120.342 -1.474 . . . . 10.0 108.441 167.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.7 t70 -55.72 -27.48 50.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.701 0.762 . . . . 10.0 112.808 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.09 -42.26 95.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 CA-C-O 116.195 -1.859 . . . . 10.0 114.661 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -69.26 -23.42 63.85 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 122.826 2.557 . . . . 10.0 109.785 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 12.3 mttt -79.31 -39.64 32.35 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.224 1.41 . . . . 10.0 111.293 171.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 t -69.34 -31.86 70.57 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.464 -1.398 . . . . 10.0 114.095 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -65.29 -30.65 71.54 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 129.344 3.058 . . . . 10.0 108.156 168.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.29 -52.47 47.15 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 118.675 -1.21 . . . . 10.0 109.8 167.403 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -56.53 -24.93 50.08 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.177 1.391 . . . . 10.0 113.892 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 129.527 3.131 . . . . 10.0 114.062 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -66.45 -39.39 88.83 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.842 -1.161 . . . . 10.0 111.22 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -62.11 -31.37 71.82 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.308 2.643 . . . . 10.0 111.861 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.01 70.37 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 118.211 -0.899 . . . . 10.0 111.746 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.94 76.85 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 120.679 1.581 . . . . 10.0 110.32 168.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.44 -37.46 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.75 1.614 . . . . 10.0 110.064 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -69.25 -39.21 78.62 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.047 1.294 . . . . 10.0 114.167 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 m -54.13 -54.96 32.47 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.311 1.444 . . . . 10.0 110.642 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.47 -43.85 97.82 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 129.273 3.029 . . . . 10.0 111.106 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.58 -42.69 74.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.471 1.509 . . . . 10.0 110.803 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.4 m -57.69 -49.3 76.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.069 0.948 . . . . 10.0 110.198 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -53.25 -60.31 3.46 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 116.643 -1.646 . . . . 10.0 108.841 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.02 -29.84 71.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 121.375 1.898 . . . . 10.0 114.621 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.27 60.28 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.883 1.674 . . . . 10.0 111.133 169.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.87 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 117.976 0.888 . . . . 10.0 113.337 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.1 tp -72.1 -51.75 20.04 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 130.422 3.489 . . . . 10.0 110.214 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.554 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -61.51 -30.33 70.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.45 1.1 . . . . 10.0 110.352 173.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -34.93 61.88 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.156 1.382 . . . . 10.0 113.577 169.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -58.61 -43.33 89.59 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 120.408 1.458 . . . . 10.0 107.67 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.56 -52.33 66.1 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 117.27 -1.348 . . . . 10.0 112.709 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 121.563 1.983 . . . . 10.0 114.238 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -45.01 17.94 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.49 1.116 . . . . 10.0 113.598 168.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -54.62 -52.96 60.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.11 2.564 . . . . 10.0 112.548 174.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.441 -0.881 0 C-N-CA 126.727 2.011 . . . . 10.0 107.865 -169.524 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 117.947 -1.025 . . . . 10.0 111.765 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 1.6 mm? -56.82 -51.45 68.91 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.54 1.518 . . . . 10.0 109.813 169.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.65 -34.31 77.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.145 -170.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.33 -46.64 72.86 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.363 2.265 . . . . 10.0 112.988 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -36.61 33.99 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 119.699 1.136 . . . . 10.0 112.583 -172.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -65.85 -26.74 67.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.831 1.653 . . . . 10.0 110.757 170.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.0 -38.09 37.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.068 1.347 . . . . 10.0 111.462 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.51 -42.73 96.97 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.824 1.25 . . . . 10.0 111.029 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.76 -58.05 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 125.947 1.699 . . . . 10.0 108.649 169.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -38.86 78.65 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.912 0.485 . . . . 10.0 111.914 -172.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -39.83 70.82 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.379 0.99 . . . . 10.0 112.295 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.371 2.8 t60 -72.79 -20.01 61.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.445 1.498 . . . . 10.0 111.797 170.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.93 -40.99 37.85 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 119.931 -1.731 . . . . 10.0 109.307 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -37.75 86.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.419 1.463 . . . . 10.0 111.344 174.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.41 -23.45 66.31 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 121.004 -1.06 . . . . 10.0 110.264 168.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.82 -43.02 31.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 117.647 -1.168 . . . . 10.0 113.573 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m -60.59 -41.22 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 120.682 1.583 . . . . 10.0 110.205 169.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -67.73 -40.16 84.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 115.99 -1.957 . . . . 10.0 109.004 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.64 74.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 122.114 2.233 . . . . 10.0 111.484 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.4 mmm180 -61.97 -46.76 87.84 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.774 0.715 . . . . 10.0 110.531 169.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.98 -32.91 74.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.987 2.115 . . . . 10.0 113.154 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.77 -39.93 63.82 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 125.543 1.537 . . . . 10.0 109.422 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 77' ' ' LEU 0.463 0.0 OUTLIER -67.95 -33.07 73.96 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.326 -0.845 . . . . 10.0 111.566 172.187 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.85 73.77 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.798 -1.814 . . . . 10.0 113.34 169.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.3 -25.46 62.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.84 1.256 . . . . 10.0 112.231 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.75 37.84 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.711 -1.243 . . . . 10.0 111.81 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.36 -38.25 84.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.167 -1.583 . . . . 10.0 109.346 169.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.0 tptt -56.53 -36.64 69.45 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.794 0.838 . . . . 10.0 110.355 169.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.22 -39.53 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.312 3.3 p -76.13 -22.12 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-N 118.88 0.764 . . . . 10.0 112.487 169.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.06 -37.61 88.07 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 119.997 -1.689 . . . . 10.0 111.791 168.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.6 p -111.3 -24.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 117.508 2.41 . . . . 10.0 117.508 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -150.87 71.71 8.75 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.55 0.74 . . . . 10.0 112.137 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.275 4.8 Cg_endo -59.37 51.47 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.128 1 C-N-CA 127.609 5.539 . . . . 10.0 118.986 -173.608 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.9 m-20 -73.58 149.14 42.32 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.857 -1.777 . . . . 10.0 108.91 167.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.48 -23.08 47.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.73 -45.69 87.48 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 CA-C-O 116.422 -1.752 . . . . 10.0 113.326 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -64.85 -24.64 67.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.041 2.655 . . . . 10.0 110.59 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -79.1 -29.35 43.23 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.906 1.683 . . . . 10.0 112.981 171.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.7 m -80.36 -39.53 28.33 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.049 1.739 . . . . 10.0 113.876 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.2 m -57.94 -29.64 65.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 130.519 3.528 . . . . 10.0 108.04 167.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.5 -54.1 41.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 118.933 -1.107 . . . . 10.0 111.336 168.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -59.27 -26.09 64.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 125.979 1.712 . . . . 10.0 112.746 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.67 -45.7 57.59 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.15 2.58 . . . . 10.0 113.128 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.48 -41.19 80.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.766 1.27 . . . . 10.0 111.887 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -64.21 -28.14 69.54 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.402 2.681 . . . . 10.0 111.685 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.38 -32.71 64.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.163 0.985 . . . . 10.0 111.327 169.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.78 75.19 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.011 1.278 . . . . 10.0 109.053 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 58' ' ' LEU . 43.5 t -51.54 -39.75 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.983 1.719 . . . . 10.0 110.721 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -68.32 -38.47 81.61 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.086 1.312 . . . . 10.0 113.824 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.9 m -54.92 -54.73 38.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.272 1.429 . . . . 10.0 110.557 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.97 -44.16 96.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 129.44 3.096 . . . . 10.0 111.196 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.29 -43.46 73.81 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.879 1.672 . . . . 10.0 110.597 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -58.27 -49.42 77.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.885 0.874 . . . . 10.0 110.364 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -53.22 -60.26 3.52 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 116.96 -1.495 . . . . 10.0 108.962 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.564 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.9 mm? -62.98 -28.95 70.44 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 121.231 1.832 . . . . 10.0 114.842 -171.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.3 -50.7 54.85 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 120.761 1.619 . . . . 10.0 110.747 168.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -31.58 72.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.349 1.075 . . . . 10.0 113.751 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -74.83 -52.27 11.81 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 129.944 3.298 . . . . 10.0 109.696 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.4 mttm -61.37 -31.02 70.91 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.23 1.012 . . . . 10.0 110.497 174.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -35.22 61.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.963 1.305 . . . . 10.0 113.591 169.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.07 -43.49 82.16 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.775 1.625 . . . . 10.0 107.835 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.72 -52.11 67.09 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.574 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -24.54 51.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.341 1.882 . . . . 10.0 114.476 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.63 -44.96 18.03 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.601 1.091 . . . . 10.0 113.668 169.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -55.15 -53.56 54.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.044 2.537 . . . . 10.0 112.585 174.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.442 -0.832 0 C-N-CA 126.695 1.998 . . . . 10.0 107.775 -169.531 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 118.043 -0.979 . . . . 10.0 112.396 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD11 HG22 ' A' ' 102' ' ' VAL . 3.4 mm? -57.68 -50.13 74.2 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.798 1.635 . . . . 10.0 109.973 169.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.81 -28.56 67.69 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.247 -0.581 . . . . 10.0 111.602 -169.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.73 -46.98 50.75 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.62 2.768 . . . . 10.0 113.295 169.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 -36.75 24.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 124.56 1.144 . . . . 10.0 113.899 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -26.07 67.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.61 1.564 . . . . 10.0 110.341 169.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.3 -38.78 34.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.512 1.125 . . . . 10.0 110.887 168.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.67 -42.47 92.93 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.779 0.832 . . . . 10.0 111.651 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.476 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.51 -56.98 2.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 C-N-CA 125.809 1.643 . . . . 10.0 108.448 169.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -38.86 82.69 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.97 0.908 . . . . 10.0 112.331 -173.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.9 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.983 -1.073 . . . . 10.0 112.265 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.432 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.298 1.9 t60 -71.42 -19.5 62.24 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.785 1.634 . . . . 10.0 110.651 169.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.78 -41.74 29.72 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.088 -1.632 . . . . 10.0 109.153 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.27 -38.62 88.23 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.272 1.396 . . . . 10.0 111.432 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -70.96 -19.11 62.59 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 120.882 -1.136 . . . . 10.0 110.746 168.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 16.6 tp -74.09 -42.61 59.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 120.42 1.463 . . . . 10.0 112.698 169.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.8 m -61.13 -42.56 93.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 120.21 1.368 . . . . 10.0 110.407 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -66.1 -38.9 89.36 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 116.135 -1.888 . . . . 10.0 109.324 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.05 77.96 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 122.226 2.284 . . . . 10.0 111.32 173.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.1 mmm180 -62.9 -42.3 99.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.985 0.811 . . . . 10.0 110.765 169.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.597 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.93 -34.18 73.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.294 2.237 . . . . 10.0 113.475 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -72.35 -38.64 68.54 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.949 1.7 . . . . 10.0 109.046 172.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.37 0.2 OUTLIER -66.8 -36.75 83.11 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.43 172.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.11 -31.5 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 119.967 -1.708 . . . . 10.0 112.658 171.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.51 -24.07 62.77 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.697 1.199 . . . . 10.0 112.441 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.46 40.29 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.815 -1.178 . . . . 10.0 112.237 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.62 -39.91 88.55 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.308 -1.495 . . . . 10.0 109.704 169.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -61.05 -19.82 61.84 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 125.427 1.491 . . . . 10.0 112.222 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -83.13 -45.6 13.76 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.03 1.493 . . . . 10.0 115.03 171.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.5 p -65.64 -19.65 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 120.888 -1.133 . . . . 10.0 111.424 169.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.07 -48.48 78.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.382 1.473 . . . . 10.0 111.21 167.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 22.5 m -88.92 -37.47 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.5 1.52 . . . . 10.0 113.92 -169.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -151.93 76.54 7.24 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 10.0 111.647 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.264 7.5 Cg_endo -61.57 51.71 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.087 1 C-N-CA 126.983 5.122 . . . . 10.0 117.819 -175.808 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.7 m-20 -73.46 149.84 42.08 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.178 -1.576 . . . . 10.0 108.209 167.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.1 m-20 -57.73 -22.5 46.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.76 -41.89 88.57 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 CA-C-O 116.164 -1.874 . . . . 10.0 114.507 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -69.97 -25.13 63.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.789 2.541 . . . . 10.0 109.765 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.9 mttt -76.5 -41.98 45.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.417 1.487 . . . . 10.0 111.078 169.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -66.5 -32.58 74.02 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.97 1.367 . . . . 10.0 114.182 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 m -66.81 -29.72 69.73 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 130.167 3.387 . . . . 10.0 108.954 169.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -66.23 -50.8 62.57 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.51 -1.276 . . . . 10.0 109.545 167.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -57.97 -26.98 63.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 10.0 113.73 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -74.4 -45.06 49.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.763 2.425 . . . . 10.0 113.557 170.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -68.06 -38.52 82.52 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.866 -1.146 . . . . 10.0 111.475 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.377 2.671 . . . . 10.0 111.816 169.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.23 68.03 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.163 0.985 . . . . 10.0 111.626 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.92 -48.75 67.69 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 119.937 1.244 . . . . 10.0 109.57 168.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.14 -39.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 121.155 1.798 . . . . 10.0 110.281 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.58 -36.98 81.94 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.15 1.341 . . . . 10.0 113.914 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -57.53 -56.13 25.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.39 1.476 . . . . 10.0 110.718 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.3 mm? -60.65 -42.13 96.38 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.59 3.156 . . . . 10.0 110.447 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.04 -43.76 64.44 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.319 1.848 . . . . 10.0 111.335 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.8 m -57.97 -48.2 80.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.507 0.723 . . . . 10.0 110.129 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -54.68 -60.29 3.56 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 116.391 -1.766 . . . . 10.0 109.029 172.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -62.92 -29.29 70.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 121.695 2.043 . . . . 10.0 114.635 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.08 -51.9 49.14 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 120.396 1.453 . . . . 10.0 110.355 169.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -32.56 73.99 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.905 1.353 . . . . 10.0 114.126 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.4 tp -72.2 -51.49 20.89 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 129.439 3.096 . . . . 10.0 109.36 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.5 mttm -62.33 -30.97 71.55 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.102 0.961 . . . . 10.0 110.574 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.6 59.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.797 1.239 . . . . 10.0 113.631 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.92 -45.09 96.05 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 120.508 1.504 . . . . 10.0 107.078 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.73 -50.68 71.5 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 117.423 -1.275 . . . . 10.0 112.439 173.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -25.35 60.46 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 121.224 1.829 . . . . 10.0 114.772 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.6 -43.82 19.93 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.491 1.041 . . . . 10.0 113.676 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -53.37 55.76 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 128.233 2.613 . . . . 10.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 40.8 t . . . . . 0 N--CA 1.441 -0.88 0 C-N-CA 126.822 2.049 . . . . 10.0 107.921 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 117.979 -1.01 . . . . 10.0 112.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.32 -50.12 72.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.652 1.569 . . . . 10.0 110.082 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.01 -38.04 87.43 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.705 -0.398 . . . . 10.0 110.748 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.66 -48.46 77.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.767 2.027 . . . . 10.0 112.768 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -36.06 34.45 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.431 1.014 . . . . 10.0 112.842 -171.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -66.68 -26.44 67.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.652 1.581 . . . . 10.0 110.951 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.55 -37.72 35.8 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.562 1.145 . . . . 10.0 111.073 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.52 -43.69 93.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.944 1.297 . . . . 10.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.5 -57.67 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 125.798 1.639 . . . . 10.0 108.366 169.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -39.15 85.11 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.982 0.913 . . . . 10.0 112.405 -172.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.22 64.66 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.071 -1.018 . . . . 10.0 112.017 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.385 3.2 t60 -71.61 -19.3 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.806 1.642 . . . . 10.0 112.004 170.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.43 -41.34 27.85 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.31 -1.494 . . . . 10.0 109.525 168.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.51 -37.69 85.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.466 1.485 . . . . 10.0 111.379 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.54 -22.78 66.74 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.086 -1.009 . . . . 10.0 110.068 168.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.4 tp -80.12 -43.15 22.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 117.521 -1.228 . . . . 10.0 113.115 174.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.4 m -59.98 -42.05 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 CA-C-N 120.604 1.547 . . . . 10.0 109.882 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 m -67.02 -39.49 87.07 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.901 -1.999 . . . . 10.0 109.122 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.73 76.43 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 122.301 2.319 . . . . 10.0 111.576 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -63.14 -42.48 99.49 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.982 0.81 . . . . 10.0 110.785 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.31 -34.12 74.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.224 2.21 . . . . 10.0 113.242 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.04 -38.74 69.47 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 125.894 1.677 . . . . 10.0 109.146 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.2 OUTLIER -66.97 -37.07 83.57 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.979 -0.534 . . . . 10.0 111.441 171.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.31 -30.51 71.37 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.846 -1.784 . . . . 10.0 112.658 171.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.33 -24.94 62.21 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.626 1.171 . . . . 10.0 112.298 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.77 48.74 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.544 -1.347 . . . . 10.0 112.082 169.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.2 -38.51 85.45 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.52 -1.362 . . . . 10.0 109.997 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.49 -21.79 62.8 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 117.791 -1.1 . . . . 10.0 112.216 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.87 -46.0 14.71 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.251 1.574 . . . . 10.0 115.251 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p -65.38 -19.78 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 120.915 -1.116 . . . . 10.0 111.477 169.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -47.57 81.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.561 1.544 . . . . 10.0 111.525 168.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.4 m -89.72 -37.62 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.376 1.47 . . . . 10.0 113.867 -169.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -152.09 77.74 6.77 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.602 0.761 . . . . 10.0 111.072 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.272 6.2 Cg_endo -60.92 53.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 126.987 5.125 . . . . 10.0 117.653 -176.35 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 74.4 m-20 -73.67 148.26 42.93 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 120.271 -1.518 . . . . 10.0 108.309 167.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.2 m-20 -57.13 -25.82 59.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.17 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-O 116.275 -1.821 . . . . 10.0 114.842 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.22 -24.41 64.02 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 122.609 2.459 . . . . 10.0 109.623 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -77.59 -42.91 33.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.37 1.468 . . . . 10.0 111.222 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.0 m -65.74 -32.81 74.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.464 -1.398 . . . . 10.0 114.46 171.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 m -65.63 -29.82 70.45 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 129.647 3.179 . . . . 10.0 108.875 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.05 -50.93 62.45 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 118.522 -1.271 . . . . 10.0 109.761 167.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -58.42 -26.7 63.57 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.477 1.111 . . . . 10.0 113.746 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.18 -45.04 50.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.089 2.555 . . . . 10.0 113.526 170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.36 -39.47 81.81 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.947 -1.096 . . . . 10.0 111.548 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.43 -30.75 71.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.421 2.689 . . . . 10.0 111.947 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.67 71.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.993 0.917 . . . . 10.0 111.484 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.22 74.17 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 120.372 1.442 . . . . 10.0 110.075 168.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.74 -37.11 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.146 1.794 . . . . 10.0 110.19 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -69.08 -39.06 79.28 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.177 1.353 . . . . 10.0 113.946 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -54.72 -54.64 39.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.203 1.401 . . . . 10.0 110.436 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.32 -42.83 99.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.961 2.904 . . . . 10.0 110.697 -175.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.2 -43.27 71.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.723 1.609 . . . . 10.0 111.068 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 -48.77 79.23 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.11 0.964 . . . . 10.0 110.069 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -54.04 -60.34 3.45 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-O 116.968 -1.492 . . . . 10.0 108.985 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.18 -26.83 68.99 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 121.895 2.134 . . . . 10.0 114.851 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.41 -49.96 47.63 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 120.915 1.689 . . . . 10.0 110.842 168.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.61 75.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.237 1.019 . . . . 10.0 113.588 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -73.58 -53.19 11.09 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 130.84 3.656 . . . . 10.0 110.2 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.582 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.2 mttm -61.45 -28.88 69.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.888 0.875 . . . . 10.0 110.52 174.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.93 60.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.228 1.411 . . . . 10.0 113.414 169.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -55.67 -44.37 77.23 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 120.485 1.493 . . . . 10.0 107.71 169.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.8 -52.73 64.45 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 117.389 -1.291 . . . . 10.0 112.936 172.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.96 53.32 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 121.285 1.857 . . . . 10.0 114.253 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.68 -45.08 17.75 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.522 1.129 . . . . 10.0 113.851 169.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.06 -53.4 53.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.273 2.629 . . . . 10.0 112.384 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.44 -0.938 0 C-N-CA 126.778 2.031 . . . . 10.0 107.878 -169.492 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 118.029 -0.986 . . . . 10.0 111.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 102' ' ' VAL . 2.3 mm? -56.83 -51.13 70.19 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.542 1.519 . . . . 10.0 109.991 169.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.16 -33.43 75.76 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.127 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.66 -48.52 66.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.189 2.196 . . . . 10.0 112.942 169.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -35.5 36.28 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.42 1.009 . . . . 10.0 112.555 -171.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -25.97 66.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.738 1.615 . . . . 10.0 110.706 171.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.11 -37.69 33.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.905 1.282 . . . . 10.0 111.319 168.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.68 -42.4 97.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.658 1.183 . . . . 10.0 111.47 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.503 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -49.98 -56.65 3.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 126.145 1.778 . . . . 10.0 107.853 169.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -66.72 -38.82 87.46 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.139 0.976 . . . . 10.0 112.328 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.41 -40.02 58.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.6 1.091 . . . . 10.0 112.677 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.592 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.303 1.9 t60 -71.36 -19.97 62.22 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.81 1.244 . . . . 10.0 110.625 169.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 52' ' ' VAL . 8.2 mt-10 -76.7 -44.44 33.5 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 120.348 -1.47 . . . . 10.0 109.529 168.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -66.66 -37.44 84.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.797 1.635 . . . . 10.0 111.445 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.03 -26.42 68.26 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 121.278 -0.889 . . . . 10.0 110.225 168.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 87' ' ' LEU . 11.3 tp -73.17 -50.87 20.18 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.105 -0.95 . . . . 10.0 112.938 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 48' ' ' GLU . 1.4 m -58.38 -37.98 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 120.398 1.453 . . . . 10.0 110.306 173.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.1 m -68.52 -42.37 78.62 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 115.864 -2.017 . . . . 10.0 109.664 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.97 65.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.236 2.289 . . . . 10.0 111.25 171.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.27 -39.05 75.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.243 0.617 . . . . 10.0 112.368 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.592 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.1 -32.54 72.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.772 2.029 . . . . 10.0 112.827 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.32 -38.92 68.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.604 1.562 . . . . 10.0 109.301 172.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -67.15 -35.99 80.89 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.577 -0.725 . . . . 10.0 111.785 170.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -64.82 -31.25 72.39 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 119.911 -1.743 . . . . 10.0 112.402 171.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.47 -24.02 62.79 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.67 1.188 . . . . 10.0 112.337 169.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.17 -33.44 38.37 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.637 -1.29 . . . . 10.0 112.182 169.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -66.46 -38.39 87.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.359 -1.463 . . . . 10.0 109.858 169.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.34 -22.69 63.54 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.516 1.126 . . . . 10.0 112.106 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.91 -45.97 15.93 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 172.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.335 3.5 p -65.49 -19.74 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.019 -1.051 . . . . 10.0 111.388 169.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.42 -49.07 75.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.302 1.441 . . . . 10.0 111.308 167.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.13 -38.31 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.262 1.425 . . . . 10.0 113.809 -169.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -152.22 78.83 6.36 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 123.415 0.686 . . . . 10.0 110.853 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.9 Cg_endo -60.86 53.51 0.09 OUTLIER 'Trans proline' 0 CA--C 1.545 1.057 1 C-N-CA 127.061 5.174 . . . . 10.0 117.412 -176.655 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.6 m-20 -74.33 148.13 41.61 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 120.335 -1.478 . . . . 10.0 108.433 167.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.8 m-20 -57.86 -22.95 50.67 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -174.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.83 -41.66 88.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 CA-C-O 116.235 -1.84 . . . . 10.0 114.422 169.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -69.91 -25.55 63.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 122.71 2.504 . . . . 10.0 109.592 -175.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.7 mttt -76.4 -41.41 47.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.288 1.435 . . . . 10.0 111.139 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -67.25 -33.77 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.971 1.367 . . . . 10.0 114.228 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.4 m -65.33 -29.48 70.23 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 130.086 3.354 . . . . 10.0 108.847 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.07 -51.36 58.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 118.698 -1.201 . . . . 10.0 109.783 167.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.94 -26.4 62.21 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 10.0 113.721 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -74.81 -45.67 41.88 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.959 2.504 . . . . 10.0 113.695 170.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -68.22 -37.89 81.33 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.756 -1.215 . . . . 10.0 111.266 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -62.61 -32.08 73.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.304 2.642 . . . . 10.0 111.85 169.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.51 69.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.394 1.077 . . . . 10.0 111.718 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -48.1 64.96 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 120.065 1.302 . . . . 10.0 109.528 168.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 HD11 ' A' ' 51' ' ' LEU . 69.7 t -54.42 -35.37 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 121.076 1.762 . . . . 10.0 110.188 174.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -69.96 -37.77 75.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.127 1.331 . . . . 10.0 114.292 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.1 m -56.27 -55.79 28.96 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.302 1.441 . . . . 10.0 110.619 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.26 -42.28 98.36 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 129.034 2.934 . . . . 10.0 110.893 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.52 -41.32 72.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.384 1.473 . . . . 10.0 110.892 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -58.07 -49.35 77.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.525 0.73 . . . . 10.0 109.891 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -53.4 -59.98 3.88 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 116.492 -1.718 . . . . 10.0 109.23 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.5 mm? -64.33 -29.47 70.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.615 1.552 . . . . 10.0 114.196 -171.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.56 -48.88 73.81 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 120.438 1.472 . . . . 10.0 110.45 169.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -28.25 67.01 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.715 1.258 . . . . 10.0 114.322 176.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.5 tp -76.35 -48.89 18.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 127.925 2.49 . . . . 10.0 108.706 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 46.2 mttm -65.1 -30.58 71.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.395 1.078 . . . . 10.0 110.692 174.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -38.03 63.84 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 117.616 -1.183 . . . . 10.0 112.771 169.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.76 -48.47 69.68 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.699 -1.593 . . . . 10.0 106.699 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -50.86 69.94 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.781 -1.104 . . . . 10.0 112.002 175.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.85 -27.14 59.85 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.186 1.812 . . . . 10.0 114.961 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.19 -42.77 22.71 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 10.0 113.636 169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.89 -53.46 55.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.12 2.568 . . . . 10.0 112.481 173.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 37' ' ' LEU . 42.2 t . . . . . 0 N--CA 1.442 -0.866 0 C-N-CA 127.091 2.156 . . . . 10.0 108.169 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 118.026 -0.988 . . . . 10.0 112.088 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 102' ' ' VAL . 1.5 mm? -57.73 -50.51 72.98 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.862 1.665 . . . . 10.0 109.963 169.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.81 -41.2 92.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.464 -0.495 . . . . 10.0 110.459 -170.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.29 -47.18 86.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.481 2.713 . . . . 10.0 113.425 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -35.97 32.58 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.143 -0.973 . . . . 10.0 113.046 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -30.1 69.97 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.632 1.573 . . . . 10.0 109.943 169.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.32 -39.95 67.82 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.807 -1.183 . . . . 10.0 111.475 168.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.01 -40.17 96.97 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.751 0.705 . . . . 10.0 112.023 172.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.51 -57.93 3.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 124.973 1.309 . . . . 10.0 108.237 169.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -37.9 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.026 0.53 . . . . 10.0 112.027 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.85 55.08 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.911 -1.118 . . . . 10.0 112.489 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.602 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.298 2.1 t60 -72.07 -20.48 61.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.743 1.217 . . . . 10.0 110.389 169.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.86 -44.2 33.14 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 120.228 -1.545 . . . . 10.0 109.7 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.98 -39.76 90.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.374 1.443 . . . . 10.0 110.938 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -63.7 -26.5 68.69 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.422 -0.799 . . . . 10.0 110.32 168.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.5 tp -72.3 -50.12 29.41 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.777 -1.106 . . . . 10.0 112.707 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -59.18 -39.24 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 121.288 1.858 . . . . 10.0 110.459 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -64.87 -41.79 95.37 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 116.495 -1.717 . . . . 10.0 108.88 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.64 79.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 122.053 2.206 . . . . 10.0 112.084 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -42.99 99.83 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.033 0.833 . . . . 10.0 110.142 169.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.576 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -67.75 -35.13 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.485 1.914 . . . . 10.0 113.225 178.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.9 mmpt? -70.58 -39.0 74.14 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.625 1.57 . . . . 10.0 109.153 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -66.65 -36.72 83.24 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 118.938 -0.553 . . . . 10.0 111.528 171.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 119.852 -1.78 . . . . 10.0 112.554 172.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.09 -25.24 62.52 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.521 1.128 . . . . 10.0 112.358 169.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -78.03 -33.88 50.85 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.804 -1.185 . . . . 10.0 112.07 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.06 -38.75 86.36 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.456 -1.402 . . . . 10.0 110.035 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.9 tptt -60.37 -22.05 62.84 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.453 1.101 . . . . 10.0 112.265 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.56 -46.42 14.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.339 3.8 p -64.89 -19.76 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.078 -1.014 . . . . 10.0 111.366 169.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.64 -49.37 73.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.51 1.524 . . . . 10.0 111.538 167.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.9 m -87.26 -38.2 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.431 1.492 . . . . 10.0 113.915 -169.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -152.26 78.5 6.43 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.486 0.714 . . . . 10.0 110.814 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 5.3 Cg_endo -60.83 56.46 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.989 1 C-N-CA 126.927 5.085 . . . . 10.0 117.268 -176.534 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -75.12 148.3 39.8 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.43 -1.419 . . . . 10.0 108.708 167.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.2 t70 -55.75 -29.46 59.59 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.43 0.692 . . . . 10.0 112.741 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.42 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.128 0 CA-C-O 116.326 -1.797 . . . . 10.0 114.977 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -68.9 -24.17 64.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 122.555 2.434 . . . . 10.0 109.508 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.8 mttt -79.12 -41.52 28.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.136 1.374 . . . . 10.0 111.05 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.6 -33.31 75.37 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.486 -1.384 . . . . 10.0 114.563 171.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -29.8 70.79 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 129.496 3.118 . . . . 10.0 108.826 169.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.29 -51.71 58.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.464 -1.294 . . . . 10.0 109.915 167.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -58.22 -26.43 62.83 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.622 1.169 . . . . 10.0 113.704 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -74.36 -45.84 44.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.03 2.532 . . . . 10.0 113.731 170.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.91 -39.61 83.54 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.969 -1.082 . . . . 10.0 111.419 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -62.16 -31.04 71.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.423 2.689 . . . . 10.0 112.047 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.69 -35.43 72.8 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.3 -0.857 . . . . 10.0 111.615 169.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.84 72.56 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 120.332 1.424 . . . . 10.0 110.334 168.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.86 -38.0 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 120.885 1.675 . . . . 10.0 110.214 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -69.14 -39.36 78.9 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.166 1.348 . . . . 10.0 113.983 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -54.42 -55.16 31.55 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.081 1.352 . . . . 10.0 110.405 169.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.35 99.02 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 129.148 2.979 . . . . 10.0 111.028 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.54 -42.5 71.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 10.0 111.106 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -57.54 -49.6 75.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.769 0.827 . . . . 10.0 110.034 172.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -53.5 -60.51 3.21 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 116.51 -1.71 . . . . 10.0 108.905 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.15 -29.18 70.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 121.463 1.938 . . . . 10.0 114.746 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.12 -50.5 56.87 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 120.949 1.704 . . . . 10.0 111.051 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.49 81.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.012 0.906 . . . . 10.0 113.126 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.7 tp -70.1 -52.35 24.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 130.446 3.498 . . . . 10.0 110.48 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.0 mttt -61.96 -30.26 70.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.232 1.013 . . . . 10.0 110.707 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.32 64.07 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.907 1.283 . . . . 10.0 113.171 169.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -58.99 -44.32 91.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 120.217 1.371 . . . . 10.0 107.856 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.15 -51.51 69.71 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 117.277 -1.344 . . . . 10.0 112.648 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.54 -24.52 56.55 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 121.443 1.929 . . . . 10.0 114.085 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.8 -45.09 17.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.323 1.049 . . . . 10.0 113.589 168.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.66 -53.48 54.21 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.833 2.453 . . . . 10.0 112.523 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.422 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t . . . . . 0 N--CA 1.442 -0.863 0 C-N-CA 127.075 2.15 . . . . 10.0 107.885 -169.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.223 -0.319 0 CA-C-O 117.769 -1.11 . . . . 10.0 112.283 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.16 -50.21 73.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 121.094 1.77 . . . . 10.0 109.941 169.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.89 -34.19 77.56 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 121.178 0.513 . . . . 10.0 111.318 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -68.8 -46.68 68.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.347 2.659 . . . . 10.0 113.398 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.87 -37.51 29.71 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.948 -1.095 . . . . 10.0 113.604 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -25.14 67.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.321 1.449 . . . . 10.0 110.801 171.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.84 -41.46 26.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.285 1.434 . . . . 10.0 111.604 169.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.57 -40.11 82.19 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.836 0.854 . . . . 10.0 111.874 171.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.89 -57.86 2.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 125.209 1.403 . . . . 10.0 108.413 169.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.21 -40.52 90.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.434 1.094 . . . . 10.0 112.31 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -36.57 58.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.053 -1.03 . . . . 10.0 112.414 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.304 2.1 t60 -72.63 -19.97 61.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.862 1.265 . . . . 10.0 110.716 169.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.11 -43.02 30.13 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 120.192 -1.567 . . . . 10.0 109.931 168.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.74 -39.84 91.54 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.927 1.24 . . . . 10.0 110.996 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.11 -23.74 67.43 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.131 -0.981 . . . . 10.0 110.449 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.8 tp -77.56 -42.27 35.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 117.681 -1.152 . . . . 10.0 113.628 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.9 m -61.06 -43.0 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 120.773 1.624 . . . . 10.0 110.381 170.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.5 m -65.37 -40.05 93.04 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 116.443 -1.741 . . . . 10.0 108.278 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.39 78.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.904 2.138 . . . . 10.0 111.698 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.0 mmm180 -62.06 -42.85 99.62 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.709 0.766 . . . . 10.0 110.727 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.39 -34.95 75.27 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.831 2.052 . . . . 10.0 113.348 179.179 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.5 mmpt? -70.74 -38.5 73.55 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.94 1.696 . . . . 10.0 109.14 172.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.2 OUTLIER -67.23 -36.84 82.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.016 -0.516 . . . . 10.0 111.484 172.373 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 119.902 -1.749 . . . . 10.0 112.782 171.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.23 -24.69 62.24 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.602 1.161 . . . . 10.0 112.411 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.06 49.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.628 -1.295 . . . . 10.0 111.843 169.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.24 -38.75 85.69 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.547 -1.345 . . . . 10.0 109.88 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE3' HG13 ' A' ' 67' ' ' VAL . 13.3 tptt -60.18 -23.51 64.02 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 124.269 1.028 . . . . 10.0 112.006 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.7 -44.16 19.18 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.94 1.459 . . . . 10.0 114.94 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 3.7 p -66.63 -19.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.02 -1.05 . . . . 10.0 111.45 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.77 -49.33 73.41 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.417 -1.427 . . . . 10.0 111.055 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.7 m -87.04 -37.78 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.406 . . . . 10.0 113.677 -169.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.71 75.96 7.56 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.652 0.781 . . . . 10.0 111.694 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.266 7.1 Cg_endo -61.5 51.15 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.06 1 C-N-CA 126.947 5.098 . . . . 10.0 117.851 -176.076 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.7 m-20 -73.48 149.56 42.24 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 120.18 -1.575 . . . . 10.0 108.21 167.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 79.6 m-20 -57.22 -23.2 46.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.65 -42.77 93.47 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 CA-C-O 116.272 -1.823 . . . . 10.0 114.383 169.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -69.51 -23.98 63.69 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 122.741 2.519 . . . . 10.0 109.953 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.8 mttt -77.56 -41.47 38.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.319 1.448 . . . . 10.0 111.304 170.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -33.0 74.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.417 -1.427 . . . . 10.0 114.218 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.5 m -64.93 -31.02 72.06 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 129.52 3.128 . . . . 10.0 108.349 168.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.57 -52.01 50.12 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.802 -1.159 . . . . 10.0 109.756 167.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.76 -24.8 52.57 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.892 1.277 . . . . 10.0 114.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.75 -45.56 20.85 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 129.385 3.074 . . . . 10.0 113.83 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -67.17 -38.51 85.57 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 120.834 -1.166 . . . . 10.0 111.244 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.94 -31.92 73.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.288 2.635 . . . . 10.0 111.809 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 -34.88 72.59 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.667 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.51 70.91 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 120.47 1.486 . . . . 10.0 110.399 169.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.23 -37.64 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.875 1.671 . . . . 10.0 110.23 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -69.11 -39.53 78.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.995 1.271 . . . . 10.0 114.074 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -53.94 -55.07 30.39 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.354 1.462 . . . . 10.0 110.348 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.59 -44.25 96.79 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 129.424 3.09 . . . . 10.0 111.145 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -43.54 73.26 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.771 1.628 . . . . 10.0 110.802 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.7 m -58.33 -48.02 81.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.992 0.917 . . . . 10.0 110.27 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.41 -60.42 3.37 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 116.779 -1.581 . . . . 10.0 108.83 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.7 mm? -61.63 -29.13 69.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 121.469 1.94 . . . . 10.0 114.636 -172.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.03 -50.17 53.72 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 121.022 1.737 . . . . 10.0 111.322 169.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -31.87 73.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.671 1.235 . . . . 10.0 113.728 175.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -75.32 -52.88 9.76 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 130.508 3.523 . . . . 10.0 109.983 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.1 mttt -62.03 -30.42 70.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.436 1.095 . . . . 10.0 110.613 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -36.64 62.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.118 1.367 . . . . 10.0 113.248 169.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.24 -45.42 79.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 120.374 1.443 . . . . 10.0 107.593 169.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.24 -52.57 64.78 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 117.493 -1.241 . . . . 10.0 112.696 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 121.386 1.903 . . . . 10.0 114.471 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.66 -45.79 16.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.603 1.161 . . . . 10.0 113.803 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.77 -53.14 56.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.64 2.776 . . . . 10.0 112.557 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.441 -0.88 0 C-N-CA 126.514 1.925 . . . . 10.0 107.788 -169.535 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 117.981 -1.009 . . . . 10.0 112.335 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD11 HG22 ' A' ' 102' ' ' VAL . 2.1 mm? -56.4 -50.44 71.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.575 1.534 . . . . 10.0 110.076 170.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.22 -36.45 83.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.911 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -48.07 74.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.008 2.123 . . . . 10.0 112.836 169.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.4 -35.74 34.83 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 119.476 1.034 . . . . 10.0 112.775 -171.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.36 -26.99 67.53 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.669 1.588 . . . . 10.0 110.756 170.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -79.24 -36.66 39.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.435 1.094 . . . . 10.0 111.416 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.17 -42.57 98.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.771 1.228 . . . . 10.0 111.232 173.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.454 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.91 -55.52 5.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 C-N-CA 126.04 1.736 . . . . 10.0 108.522 169.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.53 -39.55 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.906 1.282 . . . . 10.0 112.647 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.37 59.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 10.0 112.363 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.609 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.3 2.0 t60 -75.41 -22.7 57.21 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.345 1.458 . . . . 10.0 111.119 171.266 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -74.46 -40.03 62.14 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.114 -1.616 . . . . 10.0 109.17 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -35.96 65.78 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.281 -0.887 . . . . 10.0 111.045 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.93 -24.52 66.84 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 167.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 87' ' ' LEU . 23.6 tp -74.69 -47.47 31.47 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.635 -1.174 . . . . 10.0 113.257 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.53 -39.71 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 121.429 1.922 . . . . 10.0 109.956 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.8 m -67.0 -41.45 86.69 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 116.215 -1.85 . . . . 10.0 109.411 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.25 78.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 122.296 2.316 . . . . 10.0 111.721 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.824 0.738 . . . . 10.0 110.191 169.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.575 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.68 -38.35 89.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.443 1.897 . . . . 10.0 113.016 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.8 mmpt? -69.02 -39.87 78.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.584 1.954 . . . . 10.0 109.472 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.99 -34.3 77.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 118.697 -0.668 . . . . 10.0 111.375 171.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 2.3 ttpt -66.16 -32.75 74.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 119.981 -1.699 . . . . 10.0 112.907 170.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.19 -23.74 64.88 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.232 0.924 . . . . 10.0 111.758 169.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.91 37.36 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.611 -1.306 . . . . 10.0 112.175 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.87 -37.66 84.85 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.421 -1.424 . . . . 10.0 110.082 169.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.7 tptt -57.21 -38.05 73.13 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.294 1.037 . . . . 10.0 110.415 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.81 -38.34 76.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.197 0.814 . . . . 10.0 113.197 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.319 4.1 p -77.21 -21.75 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 118.869 0.759 . . . . 10.0 112.534 169.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.44 -37.96 89.35 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.051 -1.655 . . . . 10.0 111.607 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -110.61 -24.73 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 117.44 2.385 . . . . 10.0 117.44 -166.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -151.36 72.17 8.37 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.251 0.621 . . . . 10.0 112.152 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 5.0 Cg_endo -59.0 50.51 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.173 1 C-N-CA 127.641 5.56 . . . . 10.0 119.036 -173.475 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.2 m-20 -73.6 149.79 41.85 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 119.96 -1.713 . . . . 10.0 108.769 167.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.0 m-20 -57.85 -23.25 51.99 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -174.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.67 -40.5 86.31 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 CA-C-O 116.153 -1.879 . . . . 10.0 114.35 169.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -70.15 -25.46 63.48 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 122.804 2.547 . . . . 10.0 110.039 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -75.92 -40.73 53.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.605 1.562 . . . . 10.0 111.218 170.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -69.04 -33.41 73.57 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.987 1.375 . . . . 10.0 114.411 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 m -65.47 -28.86 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.082 3.353 . . . . 10.0 108.978 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.3 -51.55 59.91 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 118.395 -1.322 . . . . 10.0 109.634 167.457 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.47 -26.43 63.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.668 1.187 . . . . 10.0 113.702 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -74.3 -45.5 47.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.99 2.516 . . . . 10.0 113.795 170.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.55 -39.09 81.22 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.86 -1.15 . . . . 10.0 111.457 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -62.62 -29.8 70.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.242 2.617 . . . . 10.0 111.679 169.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.46 67.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.078 0.951 . . . . 10.0 111.75 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.63 65.56 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 120.179 1.354 . . . . 10.0 109.596 168.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.1 t -51.91 -38.92 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 121.067 1.758 . . . . 10.0 109.891 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t -68.09 -38.12 81.98 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.31 1.414 . . . . 10.0 113.894 174.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 m -55.77 -55.01 37.38 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.213 1.405 . . . . 10.0 110.641 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -63.3 -42.4 99.04 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.249 3.02 . . . . 10.0 111.228 -175.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.81 -41.99 70.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.364 1.865 . . . . 10.0 110.801 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.7 m -58.2 -48.79 79.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.891 0.876 . . . . 10.0 110.128 171.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -53.9 -60.26 3.56 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-O 117.113 -1.422 . . . . 10.0 109.027 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.65 -27.18 69.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 121.609 2.004 . . . . 10.0 114.719 -170.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.03 -49.92 50.37 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 120.659 1.572 . . . . 10.0 110.866 168.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -32.07 73.38 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.23 1.015 . . . . 10.0 113.699 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.1 tp -76.0 -52.48 10.14 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 130.698 3.599 . . . . 10.0 110.307 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE2' HD12 ' A' ' 91' ' ' LEU . 43.3 mttm -61.35 -29.09 69.69 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.993 0.917 . . . . 10.0 110.502 173.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -37.66 60.43 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.351 1.461 . . . . 10.0 113.268 169.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.26 -44.09 79.39 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.632 1.56 . . . . 10.0 107.867 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.35 -52.64 64.77 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.314 -1.327 . . . . 10.0 112.529 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.48 -24.53 46.67 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 121.527 1.967 . . . . 10.0 114.351 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.72 -45.76 16.58 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.57 1.148 . . . . 10.0 113.544 168.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.43 -53.34 55.4 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.275 2.63 . . . . 10.0 112.645 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.414 HG22 HD11 ' A' ' 37' ' ' LEU . 41.3 t . . . . . 0 N--CA 1.441 -0.889 0 C-N-CA 126.913 2.085 . . . . 10.0 107.779 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.193 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -56.62 -49.87 73.68 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 120.712 1.596 . . . . 10.0 110.335 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.11 -30.94 71.09 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 120.573 -0.451 . . . . 10.0 111.522 -169.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.19 -45.66 55.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.154 2.181 . . . . 10.0 112.834 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 -35.83 33.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.831 1.196 . . . . 10.0 113.063 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.29 -27.54 67.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.235 1.414 . . . . 10.0 110.545 169.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.42 -38.04 56.17 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.779 1.232 . . . . 10.0 111.052 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.3 -42.96 99.53 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.753 1.221 . . . . 10.0 111.199 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.27 -57.35 2.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 125.784 1.633 . . . . 10.0 108.567 169.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -34.35 73.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.192 0.597 . . . . 10.0 112.317 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.74 42.07 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.66 -1.275 . . . . 10.0 112.193 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.597 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.309 2.1 t60 -69.73 -21.69 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.004 1.322 . . . . 10.0 110.921 169.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.58 -43.27 39.51 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 120.137 -1.602 . . . . 10.0 109.876 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.41 -39.12 91.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.284 1.402 . . . . 10.0 111.045 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.85 -24.88 67.92 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.118 -0.989 . . . . 10.0 110.218 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 22.4 tp -77.72 -42.75 33.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.52 173.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.3 m -61.08 -41.73 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 120.713 1.597 . . . . 10.0 110.345 170.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -66.73 -38.75 87.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 116.197 -1.858 . . . . 10.0 109.305 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.07 78.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.352 1.887 . . . . 10.0 111.226 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -62.4 -47.96 81.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.856 0.753 . . . . 10.0 110.202 169.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -63.1 -29.35 70.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.119 2.167 . . . . 10.0 113.194 176.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.65 -40.31 34.53 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.956 2.102 . . . . 10.0 109.95 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 77' ' ' LEU 0.459 0.0 OUTLIER -68.51 -32.82 73.06 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.298 -0.858 . . . . 10.0 111.273 169.777 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -67.61 -33.59 75.3 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.217 -2.177 . . . . 10.0 113.64 169.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -24.1 61.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.354 1.062 . . . . 10.0 112.239 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.06 -30.64 39.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.457 -1.402 . . . . 10.0 111.415 168.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -67.5 -38.19 83.95 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.265 -1.522 . . . . 10.0 109.507 169.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.1 tptt -56.8 -36.63 70.12 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 123.611 0.764 . . . . 10.0 110.44 169.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.35 -40.02 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.316 3.5 p -75.63 -21.68 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 121.479 -0.763 . . . . 10.0 112.515 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.67 -39.24 93.32 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.009 -1.682 . . . . 10.0 111.634 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -108.71 -24.66 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 117.398 2.37 . . . . 10.0 117.398 -166.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -151.35 72.1 8.37 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.36 0.664 . . . . 10.0 112.206 169.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.276 4.5 Cg_endo -59.43 54.22 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.049 1 C-N-CA 127.421 5.414 . . . . 10.0 119.027 -173.169 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -75.33 151.73 38.22 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 119.866 -1.771 . . . . 10.0 108.62 167.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -52.04 -33.07 37.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.943 1.297 . . . . 10.0 114.333 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.93 -38.79 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 115.894 -2.003 . . . . 10.0 113.997 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.09 -24.19 64.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 122.662 2.483 . . . . 10.0 109.955 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 13.0 mttt -79.18 -38.1 36.7 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.156 1.383 . . . . 10.0 111.259 171.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.3 m -71.22 -35.44 71.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.9 1.333 . . . . 10.0 114.196 172.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m -62.76 -28.9 70.29 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 130.032 3.333 . . . . 10.0 108.688 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD11 HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -64.55 -53.41 48.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 118.723 -1.191 . . . . 10.0 110.557 167.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.01 -27.22 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.075 1.35 . . . . 10.0 113.122 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.86 -45.46 61.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.8 2.44 . . . . 10.0 113.417 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.7 -40.7 79.91 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.571 1.177 . . . . 10.0 111.842 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -64.23 -28.62 69.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.304 2.641 . . . . 10.0 111.792 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.86 64.71 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 10.0 111.447 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.12 74.75 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 120.012 1.278 . . . . 10.0 109.13 168.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG21 HD12 ' A' ' 58' ' ' LEU . 43.3 t -51.21 -39.62 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.887 1.676 . . . . 10.0 110.661 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -68.45 -38.23 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.995 1.271 . . . . 10.0 114.011 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -55.08 -55.1 34.78 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.324 1.45 . . . . 10.0 110.489 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.66 -43.63 98.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.448 3.099 . . . . 10.0 111.247 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.22 -43.11 71.32 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.832 1.653 . . . . 10.0 110.832 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.6 m -57.79 -49.46 76.54 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.735 0.814 . . . . 10.0 110.091 172.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -53.17 -60.45 3.28 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 116.566 -1.683 . . . . 10.0 108.95 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.99 -30.06 71.3 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 121.397 1.908 . . . . 10.0 114.721 -171.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.29 -50.48 59.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 120.955 1.707 . . . . 10.0 111.149 169.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.48 80.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 117.957 0.878 . . . . 10.0 113.209 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.0 tp -70.74 -52.31 21.65 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.529 3.531 . . . . 10.0 110.154 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' LEU . 71.6 mttt -61.28 -30.26 70.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.405 1.082 . . . . 10.0 110.601 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -35.09 61.65 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.35 1.46 . . . . 10.0 113.782 169.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.77 -43.49 90.41 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 120.323 1.419 . . . . 10.0 107.463 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.75 -51.9 68.01 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 117.366 -1.302 . . . . 10.0 112.733 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.08 58.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 121.368 1.895 . . . . 10.0 114.165 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.62 -43.99 19.6 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.414 1.086 . . . . 10.0 113.7 169.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -53.2 59.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.002 2.521 . . . . 10.0 112.752 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.441 -0.878 0 C-N-CA 126.937 2.095 . . . . 10.0 108.137 -169.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.24 -50.87 72.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.69 1.586 . . . . 10.0 109.801 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.54 -37.86 89.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.228 -0.589 . . . . 10.0 110.974 -171.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.46 -47.35 82.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 128.335 2.654 . . . . 10.0 114.323 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -36.14 31.94 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 124.14 0.976 . . . . 10.0 113.132 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -28.34 68.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.461 1.504 . . . . 10.0 110.132 169.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.82 -39.41 56.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.658 1.183 . . . . 10.0 111.055 168.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -39.47 90.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.671 0.789 . . . . 10.0 111.701 173.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.58 -58.54 2.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 C-N-CA 125.615 1.566 . . . . 10.0 108.309 169.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -37.92 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.149 0.58 . . . . 10.0 111.921 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.53 -37.39 60.09 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.079 -1.013 . . . . 10.0 112.45 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.629 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.305 2.2 t60 -73.42 -19.75 60.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.508 1.123 . . . . 10.0 110.587 169.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -77.58 -42.83 33.75 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 120.274 -1.516 . . . . 10.0 109.856 168.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.74 -36.87 81.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 120.476 1.489 . . . . 10.0 111.098 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -66.02 -23.45 66.56 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.327 -0.858 . . . . 10.0 109.927 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.7 tp -78.43 -44.58 24.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.328 0.967 . . . . 10.0 113.257 173.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.1 m -60.55 -41.78 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 CA-C-N 120.525 1.511 . . . . 10.0 110.38 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -66.62 -38.35 86.77 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 115.832 -2.033 . . . . 10.0 109.18 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.46 77.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 122.352 2.342 . . . . 10.0 111.617 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 mmt180 -63.18 -43.78 97.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.102 0.864 . . . . 10.0 110.804 169.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.593 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.9 -36.91 83.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.108 2.163 . . . . 10.0 112.795 -179.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -70.43 -39.97 74.08 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.994 2.117 . . . . 10.0 109.534 172.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.3 OUTLIER -65.2 -36.9 85.62 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.511 0.596 . . . . 10.0 111.243 172.315 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -65.7 -33.32 75.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 119.952 -1.718 . . . . 10.0 112.865 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.13 -23.33 65.8 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 119.339 0.972 . . . . 10.0 112.282 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.09 -33.52 38.72 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.759 -1.213 . . . . 10.0 112.016 169.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.9 -39.09 90.29 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.465 -1.397 . . . . 10.0 110.135 169.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.2 tptt -60.51 -23.36 64.48 Favored 'General case' 0 C--O 1.22 -0.5 0 C-N-CA 125.025 1.33 . . . . 10.0 112.226 170.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.81 -45.64 16.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.803 1.408 . . . . 10.0 114.803 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.343 3.6 p -65.44 -19.4 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 121.236 -0.915 . . . . 10.0 111.51 169.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.47 -49.58 70.86 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.47 -1.394 . . . . 10.0 111.289 167.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.7 m -85.83 -38.72 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.254 1.422 . . . . 10.0 113.958 -169.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -152.15 79.46 6.22 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.354 0.662 . . . . 10.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.1 Cg_endo -60.19 54.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.545 1.036 1 C-N-CA 127.118 5.212 . . . . 10.0 117.382 -177.281 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.9 m-20 -73.64 147.38 43.79 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 120.36 -1.463 . . . . 10.0 108.456 167.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -56.93 -27.09 60.58 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.03 -41.03 91.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 CA-C-O 116.321 -1.799 . . . . 10.0 114.801 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.86 -24.33 64.33 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.601 2.455 . . . . 10.0 109.606 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -78.23 -42.59 30.81 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.395 1.478 . . . . 10.0 111.196 170.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -65.45 -33.31 75.64 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.392 -1.442 . . . . 10.0 114.503 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.7 m -65.25 -29.33 70.1 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 129.687 3.195 . . . . 10.0 108.945 169.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.93 -51.45 58.46 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 118.601 -1.24 . . . . 10.0 109.762 167.37 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.31 -26.65 63.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.602 1.161 . . . . 10.0 113.658 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.9 -46.05 46.93 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.899 2.48 . . . . 10.0 113.504 170.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.87 -37.95 82.46 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.931 -1.106 . . . . 10.0 111.462 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -63.35 -32.51 73.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.434 2.694 . . . . 10.0 111.978 169.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.15 69.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.146 0.978 . . . . 10.0 111.754 169.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.07 63.44 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 119.927 1.24 . . . . 10.0 109.81 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -51.38 -38.91 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 121.201 1.819 . . . . 10.0 110.285 173.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -38.22 80.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.964 1.257 . . . . 10.0 114.036 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -55.77 -55.58 30.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.442 1.497 . . . . 10.0 110.499 169.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.88 -43.32 99.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 129.526 3.13 . . . . 10.0 111.119 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.19 -43.8 70.01 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.893 1.677 . . . . 10.0 110.943 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.4 m -57.37 -48.64 78.51 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.649 0.78 . . . . 10.0 110.166 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -54.0 -60.42 3.35 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.197 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.24 -29.16 70.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 121.661 2.028 . . . . 10.0 114.614 -171.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.19 51.17 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 120.715 1.598 . . . . 10.0 111.169 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -33.17 74.06 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.621 1.211 . . . . 10.0 113.601 175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.39 -52.58 13.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 129.979 3.312 . . . . 10.0 109.995 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.4 mttt -61.51 -30.0 70.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.272 1.029 . . . . 10.0 110.545 174.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.79 59.1 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.578 1.551 . . . . 10.0 114.044 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -60.5 -44.63 95.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.491 1.496 . . . . 10.0 107.116 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.34 -50.89 71.5 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 117.304 -1.331 . . . . 10.0 112.19 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.98 54.13 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.396 1.907 . . . . 10.0 114.439 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.77 -45.84 16.36 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.686 1.13 . . . . 10.0 113.373 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.7 -53.64 52.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.305 2.642 . . . . 10.0 112.546 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.445 -0.691 0 C-N-CA 126.856 2.062 . . . . 10.0 108.027 -169.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 118.018 -0.991 . . . . 10.0 112.401 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.46 -49.56 74.29 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.548 1.522 . . . . 10.0 110.598 170.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -67.56 -26.87 66.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.875 -169.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -76.91 -46.62 23.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.644 2.378 . . . . 10.0 112.354 169.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 -36.44 32.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.635 1.107 . . . . 10.0 113.426 -172.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -66.66 -27.66 67.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.161 1.384 . . . . 10.0 110.42 170.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.34 -38.41 55.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.762 1.225 . . . . 10.0 111.296 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.98 -44.26 97.62 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.675 1.19 . . . . 10.0 111.095 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.435 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -48.71 -56.68 2.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 125.908 1.683 . . . . 10.0 108.807 169.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -36.32 73.54 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.932 0.493 . . . . 10.0 112.127 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.78 61.39 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.83 -1.169 . . . . 10.0 112.573 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.424 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.328 2.0 t60 -73.34 -19.28 61.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.412 1.885 . . . . 10.0 111.154 169.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -80.07 -41.45 25.59 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 120.344 -1.472 . . . . 10.0 109.259 168.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.5 -38.03 86.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.592 1.542 . . . . 10.0 111.312 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -66.27 -21.57 66.28 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.122 -0.986 . . . . 10.0 110.16 168.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -80.1 -43.47 21.68 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 117.588 -1.196 . . . . 10.0 113.278 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.1 m -59.76 -41.25 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 CA-C-N 120.555 1.525 . . . . 10.0 110.131 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.6 m -70.73 -34.91 72.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 115.957 -1.973 . . . . 10.0 110.273 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.33 77.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.572 1.987 . . . . 10.0 110.995 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -63.85 -48.66 75.86 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.159 0.891 . . . . 10.0 110.273 169.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -29.95 70.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.663 1.985 . . . . 10.0 112.333 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -42.16 25.38 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.223 2.209 . . . . 10.0 110.589 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 77' ' ' LEU 0.439 0.0 OUTLIER -65.86 -32.65 74.29 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 118.655 -0.688 . . . . 10.0 110.791 169.891 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -69.73 -34.35 73.72 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 119.684 -1.885 . . . . 10.0 113.445 169.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.83 -24.5 65.28 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.726 1.148 . . . . 10.0 111.71 169.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.31 35.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.464 -1.397 . . . . 10.0 112.095 168.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.6 -37.76 85.56 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.107 -1.62 . . . . 10.0 109.704 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.515 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.7 tptt -57.26 -37.47 72.39 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 124.295 1.038 . . . . 10.0 110.341 169.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.49 -39.96 77.31 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.199 0.815 . . . . 10.0 113.199 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.314 3.6 p -75.57 -22.62 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.561 -0.712 . . . . 10.0 112.562 170.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.26 -37.92 89.2 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 119.966 -1.709 . . . . 10.0 111.812 168.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -109.86 -25.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 117.364 2.357 . . . . 10.0 117.364 -166.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -151.53 72.53 8.24 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.406 0.682 . . . . 10.0 112.003 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 4.3 Cg_endo -58.99 53.67 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.1 1 C-N-CA 127.643 5.562 . . . . 10.0 119.193 -173.092 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 75.3 m-20 -74.3 148.66 41.2 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 119.812 -1.805 . . . . 10.0 109.114 167.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 82.0 m-20 -57.49 -24.47 56.05 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.781 0.8 . . . . 10.0 113.058 -174.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.79 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-O 116.158 -1.877 . . . . 10.0 114.113 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -67.79 -26.49 66.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 122.851 2.568 . . . . 10.0 110.034 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -78.11 -30.62 49.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.877 1.671 . . . . 10.0 112.392 171.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 m -79.99 -36.13 36.43 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 123.185 1.469 . . . . 10.0 113.929 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.6 m -60.82 -29.15 69.3 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 130.122 3.369 . . . . 10.0 108.03 168.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -62.94 -54.28 40.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.117 -1.033 . . . . 10.0 111.322 168.22 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.66 -26.44 65.53 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.633 1.573 . . . . 10.0 112.6 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -72.56 -45.76 57.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.914 2.486 . . . . 10.0 113.312 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.4 -41.14 80.91 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.725 1.25 . . . . 10.0 112.064 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -63.88 -29.63 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 128.314 2.646 . . . . 10.0 111.826 169.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.97 67.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.089 0.956 . . . . 10.0 111.442 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.76 74.54 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 119.875 1.216 . . . . 10.0 109.397 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG21 HD12 ' A' ' 58' ' ' LEU . 43.9 t -51.46 -39.97 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 121.387 1.903 . . . . 10.0 110.783 172.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.5 t -67.11 -38.0 84.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.905 1.229 . . . . 10.0 113.774 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.1 m -56.27 -55.43 33.46 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.269 1.427 . . . . 10.0 110.786 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 129.168 2.987 . . . . 10.0 110.86 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.12 -44.1 69.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.058 1.743 . . . . 10.0 111.061 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.66 -48.63 78.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.834 0.853 . . . . 10.0 110.154 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -53.76 -60.31 3.48 Favored 'General case' 0 CA--C 1.493 -1.242 0 CA-C-O 116.911 -1.518 . . . . 10.0 108.967 172.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.8 mm? -63.11 -27.7 69.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 121.763 2.074 . . . . 10.0 114.847 -171.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.6 -50.73 46.93 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 120.778 1.626 . . . . 10.0 110.979 168.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -33.22 74.31 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.194 0.997 . . . . 10.0 113.587 176.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.71 -53.26 10.77 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 130.699 3.6 . . . . 10.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.546 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.1 mttm -61.14 -29.85 70.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.876 0.87 . . . . 10.0 110.527 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -37.38 62.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.087 1.355 . . . . 10.0 113.431 169.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -55.83 -43.66 77.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 120.481 1.491 . . . . 10.0 107.897 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.94 -52.0 67.64 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 117.535 -1.221 . . . . 10.0 112.921 172.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.49 53.65 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 121.162 1.801 . . . . 10.0 114.38 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.68 -44.93 17.99 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.689 1.196 . . . . 10.0 113.529 169.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.16 -53.09 60.41 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.358 2.663 . . . . 10.0 112.802 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.443 -0.78 0 C-N-CA 126.637 1.975 . . . . 10.0 107.855 -169.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 117.9 -1.047 . . . . 10.0 112.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.49 -50.74 70.89 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.848 1.658 . . . . 10.0 110.158 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -65.98 -35.09 79.64 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.451 0.469 . . . . 10.0 111.132 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.47 -47.74 69.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.434 2.293 . . . . 10.0 112.742 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.29 -36.18 34.8 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.751 1.159 . . . . 10.0 112.638 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -65.85 -27.27 68.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.742 1.617 . . . . 10.0 111.031 170.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.13 -37.57 38.23 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.084 1.354 . . . . 10.0 111.629 168.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.39 -42.89 96.84 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.63 1.172 . . . . 10.0 111.034 174.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.34 -60.17 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 125.884 1.674 . . . . 10.0 108.808 169.735 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -40.03 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.771 0.429 . . . . 10.0 111.675 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.13 72.53 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.3 -0.875 . . . . 10.0 112.275 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.393 3.0 t60 -72.37 -19.24 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.322 1.849 . . . . 10.0 112.034 170.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.42 -40.97 28.69 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.513 1.506 . . . . 10.0 109.806 168.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -68.17 -37.74 81.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.305 1.412 . . . . 10.0 111.517 174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -64.51 -26.72 68.55 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.257 -0.902 . . . . 10.0 109.572 168.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.703 HD13 ' HB3' ' A' ' 87' ' ' LEU . 18.1 tp -73.31 -49.84 25.38 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 117.617 -1.182 . . . . 10.0 112.173 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -58.53 -38.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 121.166 1.803 . . . . 10.0 110.626 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -66.32 -40.46 89.94 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 116.134 -1.889 . . . . 10.0 109.432 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.67 75.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 122.313 2.324 . . . . 10.0 111.95 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -43.85 97.44 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.277 0.944 . . . . 10.0 110.281 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.58 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.03 -37.65 86.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.605 1.962 . . . . 10.0 113.04 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -69.16 -39.43 78.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.714 2.005 . . . . 10.0 109.605 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.369 0.3 OUTLIER -65.4 -35.14 80.05 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 118.778 -0.629 . . . . 10.0 111.487 171.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 1.5 ttpt -65.88 -33.2 75.28 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.012 -1.68 . . . . 10.0 112.933 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.3 -23.24 65.63 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.209 0.913 . . . . 10.0 111.955 169.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.2 -32.8 38.58 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.493 -1.379 . . . . 10.0 112.012 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.01 -37.89 85.0 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.391 -1.443 . . . . 10.0 110.32 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.9 tptt -56.9 -38.41 72.76 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.3 1.04 . . . . 10.0 110.436 169.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.6 -37.15 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -78.16 -21.79 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 118.868 0.758 . . . . 10.0 112.494 169.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.53 -36.96 85.92 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.001 -1.687 . . . . 10.0 111.706 168.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.5 p -112.4 -24.07 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 117.401 2.371 . . . . 10.0 117.401 -166.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.62 70.8 8.91 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.509 0.724 . . . . 10.0 112.392 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.279 3.9 Cg_endo -59.14 48.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 127.634 5.556 . . . . 10.0 119.25 -172.984 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -72.98 150.04 42.81 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 119.762 -1.837 . . . . 10.0 108.692 167.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.89 -22.49 48.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.654 0.74 . . . . 10.0 112.992 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.97 -40.44 85.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 116.103 -1.903 . . . . 10.0 114.334 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -70.21 -25.12 63.26 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 122.836 2.562 . . . . 10.0 110.117 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.5 mttt -75.93 -40.75 53.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.782 1.633 . . . . 10.0 111.272 169.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -69.33 -33.02 72.5 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.999 1.381 . . . . 10.0 114.373 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 m -65.39 -28.57 69.35 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 129.986 3.314 . . . . 10.0 109.122 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -65.07 -51.39 61.71 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 118.338 -1.345 . . . . 10.0 109.76 167.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -58.99 -27.27 65.25 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.828 1.251 . . . . 10.0 113.396 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.86 -45.86 56.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.841 2.456 . . . . 10.0 113.548 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.55 -38.3 80.67 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.903 -1.123 . . . . 10.0 111.67 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -62.95 -31.83 73.0 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.188 2.595 . . . . 10.0 111.722 169.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.25 -31.9 68.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.105 0.962 . . . . 10.0 111.884 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.29 63.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 120.116 1.325 . . . . 10.0 109.703 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.59 -38.84 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 121.29 1.859 . . . . 10.0 110.394 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.96 -38.4 82.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.975 1.261 . . . . 10.0 114.023 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 m -55.85 -54.99 37.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.347 1.459 . . . . 10.0 110.652 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.49 -42.42 99.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 129.151 2.98 . . . . 10.0 110.787 -175.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.51 -44.73 70.46 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.999 1.719 . . . . 10.0 111.044 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -57.74 -49.54 76.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.101 0.96 . . . . 10.0 110.22 172.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 90' ' ' LYS . 3.6 tppt? -51.62 -60.15 3.47 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 117.5 -1.238 . . . . 10.0 108.816 171.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 3.3 mm? -64.25 -31.26 72.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 116.547 -1.692 . . . . 10.0 115.257 -169.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.96 -46.35 82.06 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 121.285 1.857 . . . . 10.0 111.199 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -33.57 76.27 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.488 1.144 . . . . 10.0 113.871 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.3 tp -71.3 -52.58 18.05 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 131.216 3.806 . . . . 10.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.489 ' HE2' ' HB3' ' A' ' 91' ' ' LEU . 52.4 mtmt -61.91 -29.42 70.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.058 0.943 . . . . 10.0 110.474 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -38.07 61.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 117.293 -1.337 . . . . 10.0 113.202 168.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -55.19 -44.3 75.15 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 120.664 1.575 . . . . 10.0 108.008 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.34 -52.37 65.91 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 117.358 -1.306 . . . . 10.0 112.785 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.55 -25.01 50.94 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.328 1.877 . . . . 10.0 114.388 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.68 -45.16 17.61 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.465 1.106 . . . . 10.0 113.719 169.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.23 56.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.968 2.507 . . . . 10.0 112.517 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 N--CA 1.442 -0.859 0 C-N-CA 126.791 2.036 . . . . 10.0 107.948 -169.474 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 117.806 -1.092 . . . . 10.0 112.154 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -51.1 70.86 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 121.08 1.763 . . . . 10.0 110.113 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -65.12 -34.34 78.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 120.632 -0.427 . . . . 10.0 111.13 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.22 -49.35 61.3 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.601 2.36 . . . . 10.0 112.939 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.24 -36.29 34.87 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 119.591 1.087 . . . . 10.0 112.899 -171.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -26.57 67.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.267 1.427 . . . . 10.0 111.0 170.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.1 -38.29 31.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.842 1.257 . . . . 10.0 111.291 169.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.72 -43.33 90.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.89 1.276 . . . . 10.0 111.185 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -48.7 -56.93 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 C-N-CA 125.946 1.698 . . . . 10.0 108.907 169.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -41.35 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.867 0.867 . . . . 10.0 112.188 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.73 69.8 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.224 -0.923 . . . . 10.0 112.189 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.373 3.1 t60 -72.55 -19.48 61.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.02 1.728 . . . . 10.0 111.965 169.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.14 -41.36 28.72 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.39 -1.444 . . . . 10.0 109.521 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -39.5 90.98 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.954 1.252 . . . . 10.0 111.143 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.22 -23.97 67.5 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.911 -1.118 . . . . 10.0 110.2 168.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.4 tp -78.0 -41.78 34.74 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.657 -1.163 . . . . 10.0 112.919 173.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.2 m -60.77 -41.83 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 120.522 1.51 . . . . 10.0 110.327 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.9 m -66.37 -39.29 89.03 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 116.665 -1.636 . . . . 10.0 109.535 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.32 79.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 121.063 1.756 . . . . 10.0 111.105 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -62.03 -48.18 81.4 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.851 0.75 . . . . 10.0 110.253 169.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -62.38 -29.48 70.5 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.2 2.2 . . . . 10.0 113.166 176.476 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.27 -41.41 34.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 126.993 2.117 . . . . 10.0 110.194 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 77' ' ' LEU 0.449 0.0 OUTLIER -67.95 -32.84 73.56 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.323 -0.846 . . . . 10.0 111.561 169.958 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -33.57 75.4 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 119.639 -1.913 . . . . 10.0 113.55 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.03 -24.4 62.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.405 1.082 . . . . 10.0 112.133 170.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.48 -30.87 37.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.457 -1.402 . . . . 10.0 111.84 168.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.09 -37.59 84.21 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.229 -1.544 . . . . 10.0 109.524 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.2 tptt -56.76 -36.83 70.25 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 123.724 0.81 . . . . 10.0 110.425 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.95 -39.46 76.04 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 3.2 p -76.24 -21.8 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.741 0.701 . . . . 10.0 112.537 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.54 -37.94 89.29 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 119.928 -1.732 . . . . 10.0 111.73 168.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -110.25 -24.74 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 117.492 2.405 . . . . 10.0 117.492 -166.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -151.33 72.39 8.39 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.429 0.692 . . . . 10.0 112.007 169.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.2 Cg_endo -59.78 53.74 0.07 OUTLIER 'Trans proline' 0 CA--C 1.544 1.005 1 C-N-CA 127.495 5.463 . . . . 10.0 118.806 -173.354 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.24 151.84 38.37 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 119.919 -1.738 . . . . 10.0 108.65 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -51.95 -33.0 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -177.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.6 -42.65 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 CA-C-O 116.336 -1.792 . . . . 10.0 113.575 171.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.34 -23.53 66.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.856 2.571 . . . . 10.0 110.349 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.7 mttt -80.72 -29.91 36.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.504 1.521 . . . . 10.0 112.568 171.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -80.09 -38.4 31.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.799 1.64 . . . . 10.0 113.826 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -58.84 -29.3 66.82 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 130.4 3.48 . . . . 10.0 108.026 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.33 -54.75 32.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.805 -1.158 . . . . 10.0 111.198 167.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -58.56 -25.54 62.63 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.723 1.609 . . . . 10.0 112.965 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.93 -45.49 50.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.016 2.526 . . . . 10.0 113.603 169.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.1 -40.75 82.55 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.964 1.364 . . . . 10.0 111.847 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -64.06 -29.01 70.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.219 2.608 . . . . 10.0 111.717 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.41 66.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.13 0.972 . . . . 10.0 111.324 169.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.13 72.4 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 119.921 1.237 . . . . 10.0 109.279 168.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 58' ' ' LEU . 42.1 t -51.84 -39.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 121.32 1.873 . . . . 10.0 110.778 172.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 t -67.39 -38.03 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.024 1.284 . . . . 10.0 113.817 174.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.2 m -55.73 -54.91 38.5 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.349 1.46 . . . . 10.0 110.449 169.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.25 -43.12 98.92 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 129.094 2.958 . . . . 10.0 110.939 -175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.82 -44.55 69.76 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.089 1.756 . . . . 10.0 111.042 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.4 m -58.09 -48.43 80.2 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.701 0.8 . . . . 10.0 110.245 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -53.65 -60.17 3.66 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 116.767 -1.587 . . . . 10.0 109.131 172.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.8 mm? -62.62 -29.08 70.35 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 121.426 1.921 . . . . 10.0 115.049 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.53 -49.91 57.75 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-N 120.884 1.675 . . . . 10.0 110.922 169.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.39 73.9 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.53 1.165 . . . . 10.0 113.836 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.01 -52.17 15.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 130.114 3.366 . . . . 10.0 109.5 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.597 ' HE3' HD12 ' A' ' 91' ' ' LEU . 65.8 mttt -61.79 -30.16 70.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.407 1.083 . . . . 10.0 110.641 174.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.25 55.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.898 1.679 . . . . 10.0 114.26 169.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.45 -44.67 96.71 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 106.707 -1.59 . . . . 10.0 106.707 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.96 -51.35 68.01 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.385 -1.293 . . . . 10.0 112.281 171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.71 56.25 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 121.385 1.902 . . . . 10.0 114.832 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.75 -46.21 15.82 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.605 1.093 . . . . 10.0 113.625 168.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.4 -53.61 48.79 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 128.309 2.644 . . . . 10.0 112.538 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.442 -0.838 0 C-N-CA 126.854 2.062 . . . . 10.0 107.81 -169.567 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.492 0.182 . . . . 10.0 111.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -128.7 20.38 6.06 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.212 1.405 . . . . 10.0 113.452 -171.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -146.31 173.47 12.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.247 1.819 . . . . 10.0 111.525 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -142.26 165.08 28.42 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.455 1.502 . . . . 10.0 111.802 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -141.37 163.83 31.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.056 1.343 . . . . 10.0 111.924 -172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -135.12 22.8 3.51 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.11 1.364 . . . . 10.0 112.55 -170.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -61.99 158.41 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.14 1.376 . . . . 10.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.93 -179.61 45.62 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.348 1.452 . . . . 10.0 112.519 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.56 147.33 54.49 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.151 1.38 . . . . 10.0 111.929 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.58 166.01 30.36 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.433 2.756 . . . . 10.0 112.514 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.4 154.61 78.35 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.178 0.991 . . . . 10.0 111.616 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.56 170.72 16.85 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.428 2.752 . . . . 10.0 112.748 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -124.76 142.73 41.62 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.686 1.595 . . . . 10.0 109.878 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.96 78.68 1.76 Allowed 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.109 3.206 . . . . 10.0 113.429 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -130.16 24.34 5.23 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.445 2.298 . . . . 10.0 111.366 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.7 mt -54.76 132.81 46.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.651 1.58 . . . . 10.0 112.447 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.61 -167.05 39.75 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.281 1.419 . . . . 10.0 112.223 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.27 123.93 18.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.082 0.953 . . . . 10.0 111.329 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -139.1 5.35 2.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.626 1.17 . . . . 10.0 113.631 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -140.17 155.27 47.01 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.997 1.719 . . . . 10.0 110.955 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.9 p -142.25 173.73 11.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.139 1.375 . . . . 10.0 112.055 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.47 29.14 5.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.629 1.572 . . . . 10.0 111.097 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.43 0.1 13.29 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.11 1.764 . . . . 10.0 114.838 -173.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.3 125.32 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.327 1.451 . . . . 10.0 111.215 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -148.84 154.71 39.88 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.962 1.305 . . . . 10.0 111.981 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -152.46 156.56 39.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.201 1.8 . . . . 10.0 110.322 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -147.86 145.34 28.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.389 1.076 . . . . 10.0 112.038 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.56 143.36 4.4 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.412 1.958 . . . . 10.0 111.488 173.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -156.41 154.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.855 1.262 . . . . 10.0 111.398 -175.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.99 152.36 87.61 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.314 1.045 . . . . 10.0 112.627 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.03 8.38 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.012 3.141 . . . . 10.0 114.73 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -50.86 -33.77 25.24 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -63.06 -32.02 73.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.319 1.048 . . . . 10.0 113.162 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.385 24.6 ttt -95.37 -16.84 22.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 170.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -62.16 -37.74 86.37 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.469 1.486 . . . . 10.0 107.669 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -63.07 -39.12 93.77 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.142 1.777 . . . . 10.0 112.316 169.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.0 mm? -56.18 -49.95 72.58 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.556 1.525 . . . . 10.0 110.224 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.22 -34.73 78.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 120.652 -0.419 . . . . 10.0 110.94 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.29 -49.1 65.6 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.059 2.143 . . . . 10.0 112.806 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.5 -34.8 35.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.266 0.939 . . . . 10.0 113.024 -170.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -67.4 -29.24 68.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.27 1.428 . . . . 10.0 110.734 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -75.48 -37.44 60.22 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.165 0.986 . . . . 10.0 110.84 168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.43 -43.95 97.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.579 1.152 . . . . 10.0 111.575 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.1 -57.92 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 C-N-CA 125.86 1.664 . . . . 10.0 108.192 169.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.101 0.96 . . . . 10.0 111.885 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 62.99 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.248 -0.908 . . . . 10.0 112.024 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.327 1.9 t60 -69.42 -19.73 63.79 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.181 1.393 . . . . 10.0 111.485 169.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.93 -43.24 25.11 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.04 -1.662 . . . . 10.0 110.162 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -66.15 -36.32 82.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.584 1.538 . . . . 10.0 111.166 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -66.63 -23.83 66.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.09 -1.006 . . . . 10.0 110.263 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.7 tp -79.15 -42.57 25.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.325 173.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.6 m -60.66 -41.38 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 120.606 1.548 . . . . 10.0 109.824 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 m -67.39 -40.08 85.64 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 115.936 -1.983 . . . . 10.0 109.067 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.87 75.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.24 2.291 . . . . 10.0 111.466 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mmm180 -61.89 -46.42 89.45 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.804 0.729 . . . . 10.0 110.429 169.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.568 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.99 -32.72 74.37 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.075 2.15 . . . . 10.0 113.237 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.568 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.74 -39.7 64.07 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 125.794 1.638 . . . . 10.0 109.418 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 77' ' ' LEU 0.462 0.0 OUTLIER -67.86 -35.31 78.32 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.552 -0.737 . . . . 10.0 111.426 171.936 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -32.49 74.06 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.591 -1.943 . . . . 10.0 113.408 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.03 -25.21 61.72 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.772 1.229 . . . . 10.0 112.434 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.05 -30.73 39.46 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.686 -1.259 . . . . 10.0 111.508 169.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.83 -39.65 87.71 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.199 -1.563 . . . . 10.0 109.25 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.1 tptt -59.9 -22.05 61.88 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 124.439 1.096 . . . . 10.0 111.968 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.84 -45.91 16.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 173.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.0 p -65.25 -19.58 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 120.925 -1.11 . . . . 10.0 111.395 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.02 -48.01 78.02 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.306 -1.496 . . . . 10.0 111.356 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.0 m -88.66 -36.96 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.447 1.499 . . . . 10.0 113.907 -169.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.78 76.47 7.37 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.636 0.774 . . . . 10.0 111.888 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 7.6 Cg_endo -62.09 54.66 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.99 1 C-N-CA 126.851 5.034 . . . . 10.0 117.723 -175.671 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.32 150.35 38.49 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 120.209 -1.557 . . . . 10.0 108.436 167.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.4 t70 -56.49 -24.94 49.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.791 0.805 . . . . 10.0 113.024 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.62 -41.67 88.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 116.189 -1.862 . . . . 10.0 114.803 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -69.44 -24.9 63.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.805 2.548 . . . . 10.0 109.672 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.8 mttt -77.86 -37.59 47.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.186 1.394 . . . . 10.0 111.395 170.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.2 m -70.98 -35.5 72.13 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.024 1.393 . . . . 10.0 114.103 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.0 m -62.7 -28.7 70.13 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 130.02 3.328 . . . . 10.0 108.626 168.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.644 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -65.25 -53.3 46.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.102 -1.039 . . . . 10.0 110.614 167.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.81 -26.09 63.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.999 1.32 . . . . 10.0 113.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -72.58 -45.72 57.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.867 2.467 . . . . 10.0 113.414 169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.2 -41.43 81.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.904 1.335 . . . . 10.0 111.733 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.6 -28.02 69.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 128.466 2.706 . . . . 10.0 111.728 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.22 65.48 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.3 1.04 . . . . 10.0 111.494 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.78 75.82 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 119.912 1.233 . . . . 10.0 109.228 168.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.489 HG21 HD12 ' A' ' 58' ' ' LEU . 42.3 t -51.47 -39.8 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 120.901 1.682 . . . . 10.0 110.712 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.8 t -67.97 -38.17 82.41 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.988 1.267 . . . . 10.0 113.847 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.1 m -55.2 -55.2 33.97 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.355 1.462 . . . . 10.0 110.545 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.56 -43.85 97.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 129.262 3.025 . . . . 10.0 111.212 -175.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.38 -43.22 73.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.01 1.724 . . . . 10.0 110.809 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.1 m -57.76 -49.45 76.56 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.756 0.822 . . . . 10.0 110.244 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.01 -60.21 3.57 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-O 116.871 -1.537 . . . . 10.0 109.174 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.82 -27.64 69.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 120.781 1.628 . . . . 10.0 114.421 -171.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.37 -50.2 51.81 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.788 1.631 . . . . 10.0 110.715 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -31.74 72.96 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -76.05 -52.64 9.76 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.225 3.41 . . . . 10.0 109.859 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HE2' HD12 ' A' ' 91' ' ' LEU . 45.9 mttm -61.89 -29.14 70.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.095 0.958 . . . . 10.0 110.839 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -36.77 61.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 117.162 -1.399 . . . . 10.0 113.07 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -56.33 -45.03 80.54 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.592 1.542 . . . . 10.0 107.76 168.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -58.93 -51.66 69.09 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 117.273 -1.346 . . . . 10.0 112.543 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.58 52.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.473 1.942 . . . . 10.0 114.31 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.75 -45.93 16.25 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.454 1.101 . . . . 10.0 113.649 168.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.0 -53.48 52.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.231 2.612 . . . . 10.0 112.629 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.408 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t -66.38 -43.92 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.919 2.088 . . . . 10.0 107.786 -169.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 2.74 0.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.8 2.04 . . . . 10.0 115.237 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -123.15 -14.59 7.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.626 2.37 . . . . 10.0 112.587 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.45 -22.09 66.86 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.815 -1.178 . . . . 10.0 110.156 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -35.65 77.37 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 130.417 3.487 . . . . 10.0 113.595 172.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.82 2.048 . . . . 10.0 112.618 -169.584 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 110.644 -0.132 . . . . 10.0 110.644 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -146.63 167.38 23.91 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.032 1.333 . . . . 10.0 111.602 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -134.25 53.71 1.98 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.59 1.556 . . . . 10.0 111.781 -169.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -62.7 175.14 0.86 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -131.66 -178.82 5.04 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.35 1.86 . . . . 10.0 111.353 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -67.11 170.64 6.64 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.661 1.184 . . . . 10.0 112.673 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -56.97 157.92 5.35 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.986 1.314 . . . . 10.0 113.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.21 -170.83 33.42 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.588 1.089 . . . . 10.0 113.625 -175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -58.02 146.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.838 1.255 . . . . 10.0 112.873 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.17 153.66 20.79 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.675 2.917 . . . . 10.0 114.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.2 pt -138.32 154.26 73.6 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 126.351 1.86 . . . . 10.0 110.484 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.8 157.42 47.78 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.344 2.696 . . . . 10.0 112.723 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -142.72 90.78 7.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.443 1.497 . . . . 10.0 111.536 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.16 -28.6 62.06 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.461 3.44 . . . . 10.0 116.538 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.1 mt 49.79 34.86 8.1 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.093 1.757 . . . . 10.0 114.281 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -138.54 161.7 36.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.414 1.886 . . . . 10.0 111.236 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.97 -178.03 44.52 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.842 1.211 . . . . 10.0 113.532 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -148.28 150.32 33.45 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.624 1.569 . . . . 10.0 111.051 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -149.7 150.69 32.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.583 1.553 . . . . 10.0 111.097 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -154.77 168.07 28.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.775 1.23 . . . . 10.0 113.046 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.4 m -140.16 146.44 38.78 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.764 1.626 . . . . 10.0 110.12 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.8 159.72 21.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.99 0.916 . . . . 10.0 112.703 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -148.47 174.99 11.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.609 1.164 . . . . 10.0 112.935 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.63 46.32 1.59 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.511 1.524 . . . . 10.0 110.06 171.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.65 -10.42 52.09 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.036 1.495 . . . . 10.0 115.036 -175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.03 132.58 53.32 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.182 0.993 . . . . 10.0 112.827 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -155.18 143.5 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.638 1.575 . . . . 10.0 109.998 174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.37 -162.7 36.49 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.051 0.834 . . . . 10.0 113.571 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.2 pt -116.51 171.03 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.76 1.624 . . . . 10.0 111.009 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -56.65 131.72 77.86 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.972 0.909 . . . . 10.0 113.135 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -81.22 -130.1 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.254 0 C-N-CA 124.595 3.53 . . . . 10.0 110.122 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 64.02 15.19 9.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.1 1.76 . . . . 10.0 115.218 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.1 p -57.47 -39.37 76.23 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.671 -1.268 . . . . 10.0 112.387 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.488 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.379 27.6 ttt -83.47 -11.01 57.99 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.279 1.215 . . . . 10.0 114.279 173.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -70.27 -39.44 74.95 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.835 -1.791 . . . . 10.0 107.182 167.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -34.25 77.38 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.792 1.237 . . . . 10.0 111.811 168.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.6 mm? -58.21 -51.2 70.76 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.608 1.549 . . . . 10.0 109.547 169.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.24 -29.07 68.61 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 120.077 -0.649 . . . . 10.0 111.384 -169.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -71.72 -47.12 56.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.606 2.762 . . . . 10.0 113.902 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -36.35 31.07 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.609 1.163 . . . . 10.0 113.399 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -26.15 67.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.803 1.641 . . . . 10.0 110.486 170.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -79.74 -36.4 37.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.759 1.224 . . . . 10.0 111.269 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -62.05 -41.83 98.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.8 0.84 . . . . 10.0 111.557 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -50.17 -56.2 4.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 125.911 1.684 . . . . 10.0 107.734 169.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -66.79 -40.39 88.11 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.282 1.033 . . . . 10.0 112.44 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.73 60.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.714 1.143 . . . . 10.0 112.352 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.605 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.297 2.1 t60 -70.06 -20.6 63.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.601 1.16 . . . . 10.0 111.041 169.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.71 -43.2 38.45 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 120.285 -1.509 . . . . 10.0 109.761 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.46 -39.24 91.77 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.339 1.427 . . . . 10.0 111.123 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.56 -24.62 67.66 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.96 -1.088 . . . . 10.0 110.258 168.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' A' ' 87' ' ' LEU . 24.0 tp -77.76 -41.4 37.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.589 -1.196 . . . . 10.0 113.335 173.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.7 m -61.46 -40.91 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.844 1.657 . . . . 10.0 110.042 169.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -66.28 -42.14 88.85 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 116.419 -1.753 . . . . 10.0 108.693 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.98 -34.56 74.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 121.86 2.118 . . . . 10.0 111.546 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -62.12 -46.07 90.65 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 118.623 0.647 . . . . 10.0 110.434 169.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.589 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.28 -34.74 79.07 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.736 2.014 . . . . 10.0 112.924 177.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -71.83 -39.32 69.87 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.35 1.46 . . . . 10.0 109.371 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 HD11 ' A' ' 77' ' ' LEU 0.453 0.0 OUTLIER -68.89 -35.47 76.9 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 118.447 -0.787 . . . . 10.0 111.631 172.022 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.4 74.01 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.604 -1.935 . . . . 10.0 113.207 169.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.81 -25.31 61.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.853 1.261 . . . . 10.0 112.39 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.23 -30.69 38.58 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.768 -1.207 . . . . 10.0 111.718 169.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.64 -39.55 88.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.18 -1.575 . . . . 10.0 109.215 168.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.3 tptt -60.13 -21.55 61.73 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.635 1.174 . . . . 10.0 111.974 169.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.88 -46.24 15.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.2 1.556 . . . . 10.0 115.2 172.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.336 2.9 p -65.27 -19.57 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.033 -1.042 . . . . 10.0 111.449 169.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.92 -47.9 78.71 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.408 -1.432 . . . . 10.0 111.34 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.42 -37.39 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.298 1.439 . . . . 10.0 113.844 -169.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.22 78.02 6.61 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.526 0.73 . . . . 10.0 111.374 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.6 Cg_endo -61.39 53.84 0.1 Allowed 'Trans proline' 0 CA--C 1.546 1.094 1 C-N-CA 126.942 5.095 . . . . 10.0 117.581 -176.276 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.3 m-20 -74.48 148.72 40.77 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.343 -1.473 . . . . 10.0 108.487 167.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 80.0 m-20 -57.56 -23.4 50.35 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.05 -41.32 87.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 CA-C-O 116.104 -1.903 . . . . 10.0 114.443 169.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.39 -26.0 64.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.857 2.571 . . . . 10.0 109.729 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -76.5 -36.15 57.96 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.469 1.508 . . . . 10.0 111.809 169.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 m -73.74 -35.27 65.03 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 122.993 1.378 . . . . 10.0 114.036 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.3 m -62.44 -28.91 70.13 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 130.3 3.44 . . . . 10.0 108.314 168.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.82 -53.59 44.47 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.166 -1.014 . . . . 10.0 110.812 167.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -59.18 -24.97 63.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.109 1.364 . . . . 10.0 113.076 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -73.92 -45.49 50.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.021 2.528 . . . . 10.0 113.492 169.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.19 -41.52 81.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.745 1.259 . . . . 10.0 111.667 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -63.91 -26.66 68.7 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.548 2.739 . . . . 10.0 111.69 169.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.22 65.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.111 0.964 . . . . 10.0 111.243 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.7 83.64 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 120.554 1.524 . . . . 10.0 109.586 168.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 58' ' ' LEU . 38.1 t -51.32 -39.16 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 120.832 1.651 . . . . 10.0 110.397 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -69.03 -36.94 78.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.292 1.405 . . . . 10.0 113.747 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -55.89 -54.6 42.71 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.042 1.337 . . . . 10.0 110.248 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.746 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.23 -42.37 99.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.081 2.952 . . . . 10.0 111.161 -175.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.23 -41.85 66.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.192 1.797 . . . . 10.0 111.01 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -47.95 81.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.674 0.789 . . . . 10.0 110.112 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -55.19 -60.36 3.5 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 116.45 -1.738 . . . . 10.0 109.149 171.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.84 -28.38 69.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 121.973 2.169 . . . . 10.0 114.361 -172.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.92 -51.36 51.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 120.595 1.543 . . . . 10.0 110.77 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.68 80.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.897 1.348 . . . . 10.0 113.628 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.2 tp -69.13 -51.9 33.7 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 129.889 3.276 . . . . 10.0 109.794 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE3' HD12 ' A' ' 91' ' ' LEU . 74.0 mttt -63.86 -30.19 71.3 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.128 0.971 . . . . 10.0 110.689 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -36.58 63.96 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 117.394 -1.289 . . . . 10.0 112.865 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -56.32 -45.1 80.46 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 120.276 1.398 . . . . 10.0 107.76 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.76 -51.22 70.45 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 117.412 -1.28 . . . . 10.0 112.47 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.37 58.58 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 121.463 1.938 . . . . 10.0 114.758 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.43 -43.89 20.21 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.429 1.013 . . . . 10.0 113.544 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.32 -53.17 59.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.144 2.578 . . . . 10.0 112.714 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.8 -43.93 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 126.989 2.116 . . . . 10.0 107.849 -169.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.66 6.14 0.37 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.698 1.999 . . . . 10.0 115.083 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.34 -14.26 5.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.383 2.273 . . . . 10.0 113.206 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -27.13 68.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.943 -1.098 . . . . 10.0 110.892 169.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -71.57 -24.02 61.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 129.111 2.964 . . . . 10.0 114.212 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.648 1.979 . . . . 10.0 112.619 -171.058 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.92 -18.77 0.66 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.514 1.301 . . . . 10.0 114.514 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -151.29 149.04 28.91 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.019 1.327 . . . . 10.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -144.94 164.06 32.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.667 1.587 . . . . 10.0 111.438 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -145.06 139.4 27.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.044 1.337 . . . . 10.0 110.761 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -148.64 5.09 0.69 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -173.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.81 133.25 48.89 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.939 -1.1 . . . . 10.0 111.148 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.3 -166.76 37.91 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.62 1.105 . . . . 10.0 112.911 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -135.24 148.42 66.32 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 125.932 1.693 . . . . 10.0 111.062 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.32 -22.45 9.6 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.974 2.45 . . . . 10.0 114.096 -174.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -66.62 139.13 95.82 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.169 0.987 . . . . 10.0 112.418 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.11 162.84 3.73 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.776 3.65 . . . . 10.0 114.776 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.14 137.8 13.65 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.089 1.356 . . . . 10.0 110.202 174.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.25 165.11 33.6 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.959 2.44 . . . . 10.0 112.944 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -142.99 -47.69 0.32 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.704 1.602 . . . . 10.0 111.419 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.86 151.64 46.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.842 1.257 . . . . 10.0 111.248 170.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.32 -13.82 0.03 OUTLIER Glycine 0 CA--C 1.538 1.5 0 N-CA-C 117.206 1.642 . . . . 10.0 117.206 176.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -148.04 155.44 41.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.373 1.587 . . . . 10.0 111.748 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.85 163.59 9.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.186 1.394 . . . . 10.0 113.55 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -140.82 20.38 2.32 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.006 1.322 . . . . 10.0 114.146 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -141.42 168.63 19.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.235 . . . . 10.0 113.043 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -152.6 158.04 41.88 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.948 2.099 . . . . 10.0 110.322 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -134.1 -19.3 1.99 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.635 1.574 . . . . 10.0 113.31 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.26 115.39 17.95 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.426 1.012 . . . . 10.0 110.906 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.7 142.37 31.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.248 1.419 . . . . 10.0 111.161 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -161.99 178.25 9.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.366 1.867 . . . . 10.0 111.18 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -142.28 150.32 40.71 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 10.0 111.109 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.07 42.93 0.25 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.536 1.065 . . . . 10.0 113.74 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.8 tp -145.39 159.03 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.609 1.564 . . . . 10.0 111.388 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -141.39 153.74 66.28 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 126.33 1.852 . . . . 10.0 112.845 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -80.31 168.75 18.11 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.976 2.45 . . . . 10.0 114.285 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.85 6.69 0.46 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.468 1.907 . . . . 10.0 115.425 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 t -52.96 -33.14 49.83 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.767 -1.208 . . . . 10.0 113.42 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.467 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.384 27.7 ttt -89.2 -15.24 34.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 175.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -65.5 -38.91 91.11 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.232 -1.542 . . . . 10.0 107.319 167.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -37.85 88.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.326 1.45 . . . . 10.0 112.34 169.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.8 mm? -56.24 -49.83 73.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.833 1.651 . . . . 10.0 110.266 169.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -65.84 -32.88 74.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 120.375 -0.53 . . . . 10.0 111.53 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.48 -46.86 58.74 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.266 2.226 . . . . 10.0 112.938 169.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -35.54 34.88 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 119.689 1.132 . . . . 10.0 113.178 -171.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.97 -28.63 68.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.98 1.312 . . . . 10.0 110.482 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.89 -39.03 61.71 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.783 1.233 . . . . 10.0 111.153 168.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.22 -42.94 99.48 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 124.571 1.149 . . . . 10.0 111.407 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.84 -57.41 2.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 125.774 1.629 . . . . 10.0 108.494 169.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -36.03 78.34 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.42 0.688 . . . . 10.0 112.429 -173.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -39.79 48.08 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 120.738 -1.226 . . . . 10.0 112.456 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.62 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.292 2.1 t60 -70.26 -21.8 62.94 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.993 1.317 . . . . 10.0 110.622 169.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 -44.13 41.78 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.203 -1.561 . . . . 10.0 109.863 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.71 -38.92 90.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.507 1.503 . . . . 10.0 111.301 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.18 -26.07 68.36 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.346 -0.846 . . . . 10.0 110.283 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.6 tp -74.2 -48.13 31.0 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.156 -0.926 . . . . 10.0 112.853 172.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -59.34 -38.54 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 120.983 1.72 . . . . 10.0 110.297 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -67.45 -39.73 85.38 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 115.984 -1.96 . . . . 10.0 110.182 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.49 81.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.514 1.961 . . . . 10.0 111.317 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -49.04 76.66 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.71 0.686 . . . . 10.0 109.778 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.67 -33.97 70.72 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.144 1.778 . . . . 10.0 112.543 176.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -75.24 -42.04 56.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 128.275 2.63 . . . . 10.0 110.968 177.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 77' ' ' LEU 0.441 0.0 OUTLIER -66.52 -33.53 75.89 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.501 -0.761 . . . . 10.0 111.097 170.182 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -67.87 -34.38 76.57 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 119.722 -1.861 . . . . 10.0 113.493 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.87 -24.34 65.23 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.679 1.127 . . . . 10.0 111.947 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.61 -30.2 36.79 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.505 -1.372 . . . . 10.0 111.748 168.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.57 -37.97 86.07 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.136 -1.603 . . . . 10.0 109.509 169.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.502 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.2 tptt -57.22 -36.61 71.1 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.3 1.04 . . . . 10.0 110.395 169.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -39.51 75.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.317 3.4 p -76.13 -21.57 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 O-C-N 121.435 -0.791 . . . . 10.0 112.497 169.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.78 -37.41 87.53 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.932 -1.73 . . . . 10.0 111.83 168.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -111.2 -24.51 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 117.386 2.365 . . . . 10.0 117.386 -166.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -150.75 71.63 8.84 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.435 0.694 . . . . 10.0 112.194 169.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.277 4.6 Cg_endo -59.83 53.09 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 1 C-N-CA 127.376 5.384 . . . . 10.0 118.972 -173.189 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.99 150.58 38.94 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 119.834 -1.791 . . . . 10.0 108.93 167.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 31.2 t70 -56.41 -25.77 51.2 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.096 0.95 . . . . 10.0 113.082 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -40.92 88.18 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.182 0 CA-C-O 116.148 -1.882 . . . . 10.0 114.521 169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -68.83 -24.46 64.38 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 122.813 2.551 . . . . 10.0 109.919 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.9 mttt -79.71 -29.9 40.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.661 1.584 . . . . 10.0 112.334 171.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -80.08 -35.8 36.43 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 123.17 1.462 . . . . 10.0 113.972 172.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.0 m -61.36 -28.84 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.06 3.344 . . . . 10.0 108.108 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.32 -53.76 47.63 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.082 -1.047 . . . . 10.0 111.156 168.082 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -59.81 -25.84 65.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.708 1.603 . . . . 10.0 112.61 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -72.81 -46.0 55.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.999 2.519 . . . . 10.0 113.171 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.34 -40.99 81.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.894 1.331 . . . . 10.0 111.988 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -63.92 -29.27 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 128.343 2.657 . . . . 10.0 111.705 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.34 -32.23 66.33 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.305 1.042 . . . . 10.0 111.402 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.09 -48.15 71.91 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.975 1.261 . . . . 10.0 109.284 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 58' ' ' LEU . 41.1 t -51.61 -40.16 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 121.138 1.79 . . . . 10.0 110.482 172.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -67.79 -37.69 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.182 1.355 . . . . 10.0 113.973 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.5 m -55.71 -55.51 31.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.354 1.462 . . . . 10.0 110.548 169.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.13 99.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 129.323 3.049 . . . . 10.0 111.202 -175.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.56 -42.71 70.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.178 1.791 . . . . 10.0 110.814 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -57.9 -48.98 78.29 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.749 0.82 . . . . 10.0 110.12 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.31 -60.34 3.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.018 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.544 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.33 -29.03 70.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.602 2.001 . . . . 10.0 114.573 -171.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.01 -51.06 54.58 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 120.776 1.625 . . . . 10.0 111.086 169.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -33.07 74.46 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.458 1.129 . . . . 10.0 113.69 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.29 -51.95 15.72 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 129.874 3.27 . . . . 10.0 109.912 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -62.29 -30.94 71.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.071 . . . . 10.0 110.732 174.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -35.85 63.38 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 117.485 -1.245 . . . . 10.0 113.147 169.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.32 -44.61 84.33 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.586 1.539 . . . . 10.0 107.788 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.74 -51.84 67.9 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.637 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.29 -24.76 57.03 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.455 1.934 . . . . 10.0 114.446 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -80.53 -44.8 18.49 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.589 1.086 . . . . 10.0 113.732 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.84 -53.25 57.8 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.247 2.619 . . . . 10.0 112.84 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.34 -43.81 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 126.752 2.021 . . . . 10.0 107.905 -169.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.44 5.63 0.39 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.165 2.186 . . . . 10.0 115.205 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.15 -24.38 4.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.55 2.34 . . . . 10.0 112.929 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -27.99 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.948 1.299 . . . . 10.0 111.977 169.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.67 -18.42 62.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 128.736 2.814 . . . . 10.0 114.88 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.089 1.755 . . . . 10.0 113.28 -169.289 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.333 0.111 . . . . 10.0 111.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -67.52 154.63 40.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.977 0.911 . . . . 10.0 113.343 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.29 126.05 24.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.365 1.066 . . . . 10.0 111.773 172.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.23 -21.2 62.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -140.38 142.54 35.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.931 1.692 . . . . 10.0 110.098 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -161.28 168.63 23.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.863 1.265 . . . . 10.0 112.309 -172.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.45 160.02 40.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.216 1.806 . . . . 10.0 110.405 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.48 175.77 46.58 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.656 -0.652 . . . . 10.0 114.637 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -145.57 158.38 50.36 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 128.098 2.559 . . . . 10.0 109.602 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.08 51.22 3.58 Favored 'Trans proline' 0 CA--C 1.551 1.349 0 C-N-CA 124.582 3.521 . . . . 10.0 113.208 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.4 pt -136.02 157.01 76.68 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 127.206 2.202 . . . . 10.0 110.699 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.28 166.95 26.55 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.201 2.601 . . . . 10.0 112.489 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -137.28 136.89 21.25 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.312 1.445 . . . . 10.0 110.441 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -71.1 142.91 43.15 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 122.69 2.26 . . . . 10.0 112.983 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.46 172.93 17.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.292 1.837 . . . . 10.0 111.023 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.35 30.22 9.91 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.543 1.537 . . . . 10.0 113.729 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.36 28.04 0.15 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.325 0.964 . . . . 10.0 114.871 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.36 2.98 10.3 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.511 1.524 . . . . 10.0 113.272 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -141.78 15.25 2.13 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.858 1.663 . . . . 10.0 112.378 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -62.77 151.84 37.52 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.578 1.551 . . . . 10.0 113.395 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -140.94 163.27 33.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.959 1.704 . . . . 10.0 111.466 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.39 149.57 29.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.74 1.216 . . . . 10.0 111.208 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -153.66 162.88 40.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.639 1.176 . . . . 10.0 112.554 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 tp -152.86 151.82 30.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.27 1.428 . . . . 10.0 110.819 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -65.51 161.51 19.97 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.736 1.214 . . . . 10.0 112.899 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.27 118.08 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.847 0.859 . . . . 10.0 111.821 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -75.16 127.46 33.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.1 0.96 . . . . 10.0 111.033 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.96 -168.15 39.89 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.352 0.977 . . . . 10.0 113.5 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 pt -131.93 156.96 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.95 1.7 . . . . 10.0 111.048 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -69.33 126.19 92.5 Favored Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -92.27 -4.67 3.63 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.858 3.038 . . . . 10.0 115.187 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -40.64 -42.55 1.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 118.019 2.6 . . . . 10.0 118.019 -168.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.4 t -63.68 -34.81 78.68 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.832 1.196 . . . . 10.0 113.447 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.46 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.394 24.1 ttt -93.2 -15.63 25.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.23 0.923 . . . . 10.0 113.367 170.029 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.8 m -64.16 -37.16 86.46 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.17 -1.581 . . . . 10.0 107.812 167.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -37.62 88.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.626 1.57 . . . . 10.0 111.806 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD11 HG22 ' A' ' 102' ' ' VAL . 2.0 mm? -56.31 -52.94 62.68 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.217 1.371 . . . . 10.0 109.162 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.97 -36.17 79.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.688 -0.805 . . . . 10.0 111.389 -170.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -62.65 -43.71 98.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.046 2.138 . . . . 10.0 113.648 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.81 -36.31 31.86 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 121.141 -0.974 . . . . 10.0 112.757 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -24.55 65.17 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.136 2.175 . . . . 10.0 110.112 170.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.19 -39.48 29.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.512 1.525 . . . . 10.0 110.76 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.05 -41.95 93.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.355 1.062 . . . . 10.0 111.439 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -51.18 -57.99 2.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 125.517 1.527 . . . . 10.0 108.24 169.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -36.63 79.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.956 0.502 . . . . 10.0 112.22 -172.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.97 52.96 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.587 1.085 . . . . 10.0 112.336 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.316 2.1 t60 -69.84 -20.33 63.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.45 1.1 . . . . 10.0 110.948 169.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -76.79 -44.13 33.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.191 -1.568 . . . . 10.0 109.484 168.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.26 -37.15 84.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.952 1.705 . . . . 10.0 111.503 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -65.45 -25.62 67.59 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.158 -0.964 . . . . 10.0 110.128 168.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.1 tp -76.6 -43.44 38.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.11 0.868 . . . . 10.0 113.154 173.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.86 -38.83 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 CA-C-N 120.514 1.506 . . . . 10.0 110.501 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.0 m -68.29 -34.09 75.52 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 116.097 -1.906 . . . . 10.0 110.289 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.47 81.22 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.508 1.958 . . . . 10.0 110.987 169.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.67 -44.77 92.77 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.108 0.867 . . . . 10.0 110.664 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.18 -31.75 72.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.19 2.196 . . . . 10.0 112.549 178.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.59 -40.91 63.52 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.784 2.033 . . . . 10.0 110.025 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.3 OUTLIER -65.99 -35.66 81.19 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 118.676 -0.678 . . . . 10.0 111.571 170.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.73 72.96 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.755 -1.841 . . . . 10.0 112.542 171.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.78 -23.37 62.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.182 0.993 . . . . 10.0 112.29 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.11 -33.11 38.99 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.551 -1.343 . . . . 10.0 112.029 168.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.5 -38.27 86.87 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.303 -1.498 . . . . 10.0 109.812 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 67' ' ' VAL . 9.9 tptt -60.52 -20.88 61.62 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 124.745 1.218 . . . . 10.0 112.258 169.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.7 -46.15 13.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 172.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.34 3.4 p -65.23 -19.61 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.955 -1.091 . . . . 10.0 111.383 169.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.68 -48.0 78.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.668 1.587 . . . . 10.0 111.545 167.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.5 m -88.9 -37.67 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.531 1.532 . . . . 10.0 113.91 -169.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -152.34 78.34 6.43 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.471 0.708 . . . . 10.0 111.199 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 6.0 Cg_endo -61.13 55.17 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.032 1 C-N-CA 127.006 5.138 . . . . 10.0 117.433 -176.186 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -75.47 149.21 38.54 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 120.356 -1.465 . . . . 10.0 108.68 167.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 33.5 t70 -56.6 -25.25 52.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.24 -41.44 89.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 CA-C-O 116.193 -1.861 . . . . 10.0 114.695 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.2 -24.47 63.12 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 122.694 2.497 . . . . 10.0 109.558 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.7 mttt -77.98 -40.6 38.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.248 1.419 . . . . 10.0 111.047 170.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -33.2 74.72 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 122.91 1.338 . . . . 10.0 114.198 172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -65.97 -29.3 69.67 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 129.992 3.317 . . . . 10.0 108.866 169.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.02 -51.53 57.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 118.701 -1.2 . . . . 10.0 109.583 167.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.81 -25.26 60.35 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.607 1.163 . . . . 10.0 113.815 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -76.33 -45.18 33.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.089 2.556 . . . . 10.0 113.73 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.44 -39.4 85.4 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.824 -1.173 . . . . 10.0 111.135 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.1 ttt-85 -62.76 -28.68 70.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.478 2.711 . . . . 10.0 111.935 169.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.55 68.33 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.247 -0.883 . . . . 10.0 111.505 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.92 76.18 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 120.518 1.508 . . . . 10.0 110.024 168.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.0 -38.83 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.631 1.56 . . . . 10.0 109.825 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 t -68.76 -38.28 79.98 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 120.534 1.515 . . . . 10.0 113.977 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.5 m -54.77 -55.25 32.08 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.138 1.375 . . . . 10.0 110.352 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.701 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.81 -43.98 97.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.226 3.011 . . . . 10.0 111.066 -175.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -70.71 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.318 1.847 . . . . 10.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 m -58.37 -49.84 75.81 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.789 0.722 . . . . 10.0 110.117 171.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -52.57 -60.02 3.75 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-O 116.486 -1.721 . . . . 10.0 109.088 173.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.7 -29.77 70.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 116.705 -1.617 . . . . 10.0 114.452 -171.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.98 73.2 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.713 1.597 . . . . 10.0 110.595 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -27.41 66.15 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.7 tp -76.66 -49.16 16.85 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 127.941 2.496 . . . . 10.0 108.763 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -64.33 -31.32 72.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.297 1.039 . . . . 10.0 110.62 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -38.42 65.06 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.533 -1.222 . . . . 10.0 112.928 169.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.54 -48.29 69.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 106.93 -1.507 . . . . 10.0 106.93 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.04 -50.77 71.73 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 117.938 -1.03 . . . . 10.0 111.743 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.13 58.55 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.751 1.614 . . . . 10.0 114.882 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.13 -41.29 25.74 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.957 1.095 . . . . 10.0 113.957 170.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -55.36 -53.45 56.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.824 2.45 . . . . 10.0 112.097 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 37' ' ' LEU . 47.3 t -67.59 -44.83 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 C-N-CA 127.137 2.175 . . . . 10.0 107.733 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.15 8.31 0.59 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.086 1.754 . . . . 10.0 115.12 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.01 -17.93 5.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.976 2.111 . . . . 10.0 112.664 170.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -18.35 60.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.884 1.274 . . . . 10.0 111.638 169.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -84.31 -14.06 50.74 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.343 3.057 . . . . 10.0 113.973 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.255 0 C-N-CA 126.338 1.855 . . . . 10.0 112.17 -169.902 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.023 -0.036 . . . . 10.0 111.028 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -133.13 -0.93 3.3 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.95 153.44 43.58 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.504 1.122 . . . . 10.0 113.268 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -137.62 -2.23 1.98 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.711 1.204 . . . . 10.0 113.622 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -157.35 168.32 27.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.102 1.761 . . . . 10.0 111.181 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -69.1 155.54 40.2 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.846 0.859 . . . . 10.0 111.891 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 49.2 -154.47 0.1 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.749 1.62 . . . . 10.0 114.266 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.81 166.68 35.07 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.827 1.203 . . . . 10.0 113.473 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -143.35 156.3 60.79 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.696 1.998 . . . . 10.0 110.935 -176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -51.61 147.03 24.72 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.557 2.838 . . . . 10.0 113.652 170.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.89 155.14 73.19 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.629 1.572 . . . . 10.0 112.002 -176.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.1 162.43 40.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.653 2.902 . . . . 10.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -150.42 158.79 35.74 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.064 1.346 . . . . 10.0 111.273 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.65 -7.43 20.17 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.019 2.479 . . . . 10.0 114.948 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.1 mt -88.03 -6.72 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.339 1.056 . . . . 10.0 113.377 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.96 137.94 57.68 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.344 1.058 . . . . 10.0 111.553 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.58 52.58 0.07 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.409 0.528 . . . . 10.0 113.964 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -53.27 127.58 25.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.049 1.34 . . . . 10.0 112.557 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.97 141.28 58.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.89 1.276 . . . . 10.0 113.112 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -151.15 -14.78 0.21 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 p -74.09 146.21 43.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.544 1.066 . . . . 10.0 113.098 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.42 155.02 40.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.914 0.886 . . . . 10.0 112.487 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.96 50.41 1.2 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.432 1.493 . . . . 10.0 112.324 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.0 tp -145.29 148.87 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.367 1.467 . . . . 10.0 111.83 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -149.82 151.11 32.99 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.783 1.633 . . . . 10.0 110.948 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -76.93 69.64 3.26 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.901 1.28 . . . . 10.0 111.724 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.94 -26.58 68.27 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.432 1.493 . . . . 10.0 114.587 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.54 -178.38 45.49 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.01 1.29 . . . . 10.0 113.159 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.4 pt -71.94 170.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.636 0.775 . . . . 10.0 112.491 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.04 142.55 89.17 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 121.325 -0.859 . . . . 10.0 112.307 172.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.23 -3.7 14.23 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.336 2.69 . . . . 10.0 114.864 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.41 -23.61 57.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.871 1.268 . . . . 10.0 114.199 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.4 p -55.15 -34.9 64.19 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.164 -0.96 . . . . 10.0 112.357 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.505 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.377 28.4 ttt -85.47 -14.21 46.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.283 1.216 . . . . 10.0 114.283 174.288 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -67.17 -40.05 86.54 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 119.978 -1.701 . . . . 10.0 107.619 167.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -37.51 87.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.829 1.252 . . . . 10.0 112.385 169.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.1 mm? -56.64 -49.85 73.79 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.571 1.532 . . . . 10.0 110.334 170.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.15 -31.82 72.89 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.515 -169.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.59 -47.35 55.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.221 2.208 . . . . 10.0 112.963 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -36.52 33.45 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.562 1.074 . . . . 10.0 113.157 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -66.56 -25.78 66.81 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.494 1.518 . . . . 10.0 110.814 170.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -79.83 -37.64 34.63 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.387 1.075 . . . . 10.0 110.924 168.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.85 -42.65 94.09 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.685 1.194 . . . . 10.0 111.533 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.66 -56.96 3.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 C-N-CA 125.835 1.654 . . . . 10.0 108.247 169.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -35.34 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.009 0.924 . . . . 10.0 112.676 -172.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.03 -39.03 51.63 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.841 -1.162 . . . . 10.0 112.151 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.379 3.1 t60 -72.37 -19.31 61.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.454 1.501 . . . . 10.0 111.512 169.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 -41.33 28.97 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 120.347 -1.471 . . . . 10.0 108.945 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.65 -40.23 95.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.28 1.4 . . . . 10.0 111.475 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.59 -22.98 67.11 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 120.943 -1.098 . . . . 10.0 110.503 168.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.1 tp -78.68 -41.57 30.81 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 117.564 -1.207 . . . . 10.0 112.742 173.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.5 m -60.93 -41.91 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 120.627 1.558 . . . . 10.0 110.187 169.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 m -65.63 -42.16 91.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-O 116.695 -1.621 . . . . 10.0 108.526 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.23 76.52 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 121.592 1.996 . . . . 10.0 111.617 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.4 mmm180 -61.28 -45.56 93.97 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.701 0.682 . . . . 10.0 110.405 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.68 -33.47 75.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.836 2.055 . . . . 10.0 113.331 177.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 2.0 mmpt? -72.16 -38.89 69.05 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.202 1.401 . . . . 10.0 109.327 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 77' ' ' LEU 0.461 0.0 OUTLIER -69.29 -35.15 75.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.428 -0.796 . . . . 10.0 111.63 172.32 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -32.99 74.86 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 119.634 -1.916 . . . . 10.0 113.307 169.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.12 -25.35 62.55 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.756 1.223 . . . . 10.0 112.438 171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.01 -31.03 39.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.828 -1.17 . . . . 10.0 111.884 169.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.61 -39.73 88.48 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.175 -1.578 . . . . 10.0 109.44 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 11.8 tptt -59.93 -21.57 61.29 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 124.592 1.157 . . . . 10.0 112.155 169.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.01 -46.6 14.8 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.263 1.579 . . . . 10.0 115.263 172.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.332 2.9 p -64.94 -19.66 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 121.001 -1.062 . . . . 10.0 111.346 169.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -63.97 -48.89 74.66 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.364 -1.46 . . . . 10.0 111.382 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.02 -37.89 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.279 1.432 . . . . 10.0 113.972 -169.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.19 78.51 6.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.453 0.701 . . . . 10.0 111.045 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.268 5.8 Cg_endo -60.58 54.75 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 1 C-N-CA 127.005 5.136 . . . . 10.0 117.522 -176.599 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.3 m-20 -74.21 147.7 42.25 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 120.292 -1.505 . . . . 10.0 108.602 167.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.79 -24.03 55.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.051 0.759 . . . . 10.0 113.051 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.04 -40.85 86.37 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.229 0 CA-C-O 116.198 -1.858 . . . . 10.0 114.354 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -69.03 -25.99 64.76 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 122.854 2.57 . . . . 10.0 109.682 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.0 mttt -76.98 -36.77 56.21 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.628 1.571 . . . . 10.0 111.706 170.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -72.88 -35.19 67.09 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 122.986 1.374 . . . . 10.0 114.013 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 m -62.77 -28.88 70.29 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 130.243 3.417 . . . . 10.0 108.464 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.625 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -64.84 -53.51 45.62 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 119.003 -1.079 . . . . 10.0 110.64 167.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -58.62 -26.87 64.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.935 1.294 . . . . 10.0 113.107 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -72.22 -45.55 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.983 2.513 . . . . 10.0 113.455 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.29 -40.76 81.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.657 1.218 . . . . 10.0 111.816 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -64.11 -27.37 69.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 128.516 2.726 . . . . 10.0 111.745 169.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.75 63.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.555 1.142 . . . . 10.0 111.619 169.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.21 75.36 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 120.178 1.354 . . . . 10.0 108.981 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 58' ' ' LEU . 40.3 t -51.77 -39.51 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 120.844 1.656 . . . . 10.0 110.578 172.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -67.86 -36.71 80.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.228 1.376 . . . . 10.0 113.95 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -56.87 -55.09 38.93 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.125 1.37 . . . . 10.0 110.443 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.0 -42.14 98.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 129.029 2.932 . . . . 10.0 110.763 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.55 -43.07 70.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.151 1.78 . . . . 10.0 111.069 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 m -58.25 -49.17 78.03 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.942 0.897 . . . . 10.0 110.178 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.65 -60.26 3.54 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 117.058 -1.448 . . . . 10.0 108.913 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.16 -27.37 69.33 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 121.532 1.969 . . . . 10.0 114.752 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.55 -50.06 51.79 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 121.027 1.739 . . . . 10.0 111.013 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -34.13 76.97 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.125 0.963 . . . . 10.0 113.571 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.9 tp -72.66 -53.3 12.15 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 130.852 3.661 . . . . 10.0 110.312 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.0 mttm -60.98 -28.77 69.25 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.069 0.948 . . . . 10.0 110.502 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -38.07 59.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.362 1.465 . . . . 10.0 113.447 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -55.7 -43.52 76.53 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 120.562 1.528 . . . . 10.0 107.84 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . 2.0 mp -58.58 -52.6 64.99 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.407 -1.282 . . . . 10.0 113.013 171.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.29 -25.1 47.22 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 121.387 1.903 . . . . 10.0 114.309 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.58 -45.16 17.81 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.538 1.135 . . . . 10.0 113.694 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . 1.1 mp -54.31 -53.11 58.28 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.168 2.587 . . . . 10.0 112.725 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.15 -44.34 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 C-N-CA 126.849 2.059 . . . . 10.0 107.78 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.63 6.31 0.34 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.987 2.115 . . . . 10.0 115.217 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.76 -12.57 4.8 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.431 2.293 . . . . 10.0 113.141 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.96 -24.14 67.43 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.919 -1.113 . . . . 10.0 110.752 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -75.82 -13.93 60.29 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 129.772 3.229 . . . . 10.0 114.713 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.464 1.906 . . . . 10.0 113.263 -169.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.52 0.193 . . . . 10.0 111.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 162.4 17.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.667 0.787 . . . . 10.0 112.979 169.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -142.86 147.34 35.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.037 1.335 . . . . 10.0 110.238 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -149.58 174.23 12.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.88 1.672 . . . . 10.0 111.051 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -127.18 104.18 7.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.871 1.268 . . . . 10.0 110.667 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -56.73 -27.06 58.6 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.064 1.346 . . . . 10.0 114.226 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.88 -28.03 68.58 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.24 1.416 . . . . 10.0 113.661 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.83 1.67 42.61 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.24 1.4 . . . . 10.0 114.453 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -58.51 150.28 56.71 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.92 1.288 . . . . 10.0 112.245 173.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.73 158.39 53.8 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.876 2.384 . . . . 10.0 112.693 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -157.74 139.9 10.28 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 125.766 1.626 . . . . 10.0 109.914 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.1 140.7 73.19 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.031 2.487 . . . . 10.0 110.982 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -61.29 127.63 88.48 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.246 0.618 . . . . 10.0 111.812 -174.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.0 -11.6 16.41 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.623 2.882 . . . . 10.0 114.645 -175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 tp 48.4 34.19 4.52 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.791 2.036 . . . . 10.0 113.707 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -150.4 127.56 11.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.044 1.738 . . . . 10.0 109.408 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.79 -92.01 0.08 OUTLIER Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.973 0.797 . . . . 10.0 112.655 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -143.17 162.46 35.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.106 1.762 . . . . 10.0 111.484 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -142.16 22.86 2.05 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.024 1.33 . . . . 10.0 112.894 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m 54.48 25.77 6.49 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.509 1.924 . . . . 10.0 115.569 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -59.25 -22.15 60.68 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.511 1.525 . . . . 10.0 115.025 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.55 -23.14 65.76 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.178 -0.951 . . . . 10.0 113.288 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -63.14 -16.14 59.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.873 -1.142 . . . . 10.0 113.491 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.7 11.47 19.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.554 1.942 . . . . 10.0 112.145 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.57 -29.17 61.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -144.66 148.56 34.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.221 1.408 . . . . 10.0 111.162 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -144.85 7.38 1.23 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.362 1.065 . . . . 10.0 113.696 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.24 -171.05 47.04 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.337 0.97 . . . . 10.0 112.6 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -142.53 -40.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 114.633 1.346 . . . . 10.0 114.633 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -157.12 135.03 7.2 Favored Pre-proline 0 N--CA 1.476 0.871 0 CA-C-N 120.009 1.277 . . . . 10.0 112.459 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -80.39 -9.87 13.61 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.662 2.908 . . . . 10.0 113.78 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.52 -26.07 63.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.995 1.318 . . . . 10.0 114.179 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.1 p -54.1 -34.16 59.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.775 0.83 . . . . 10.0 112.298 170.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.518 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.358 28.0 ttt -81.52 -18.2 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.541 1.311 . . . . 10.0 114.541 175.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 m -64.64 -38.66 91.77 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.929 -1.732 . . . . 10.0 108.456 167.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -35.59 80.63 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.86 1.264 . . . . 10.0 112.482 169.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.5 mm? -57.65 -49.71 75.58 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.816 1.644 . . . . 10.0 110.293 169.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.84 -28.21 68.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 120.314 -0.554 . . . . 10.0 111.726 -169.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -74.53 -47.72 31.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.96 2.904 . . . . 10.0 113.452 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.72 -37.11 27.83 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -174.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.08 67.64 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.077 1.351 . . . . 10.0 110.486 170.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.16 -38.4 36.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.595 1.158 . . . . 10.0 111.102 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -59.62 -42.62 93.09 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.702 0.801 . . . . 10.0 111.698 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -49.26 -57.25 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 C-N-CA 125.64 1.576 . . . . 10.0 108.751 169.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.98 -40.94 87.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.099 0.959 . . . . 10.0 112.025 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -36.8 63.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.411 1.005 . . . . 10.0 112.606 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.63 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.308 1.9 t60 -73.68 -20.31 60.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.391 1.476 . . . . 10.0 110.86 170.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.93 -42.74 32.04 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.201 -1.562 . . . . 10.0 109.906 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.48 -39.51 88.8 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 120.129 1.331 . . . . 10.0 111.035 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.88 -24.6 67.8 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.037 -1.039 . . . . 10.0 110.228 168.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.23 -42.92 35.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.677 -1.154 . . . . 10.0 113.674 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.3 m -60.88 -42.51 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.649 1.568 . . . . 10.0 110.346 170.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.6 m -66.8 -37.46 84.58 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 116.558 -1.687 . . . . 10.0 109.35 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.15 79.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 121.215 1.825 . . . . 10.0 111.154 172.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.1 mmm180 -63.48 -45.99 88.21 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.24 0.927 . . . . 10.0 110.365 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -28.3 69.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.192 2.197 . . . . 10.0 113.077 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -40.7 26.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.934 2.093 . . . . 10.0 109.952 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.347 0.3 OUTLIER -65.7 -34.76 78.96 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.716 -0.659 . . . . 10.0 111.219 169.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.64 72.72 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 119.732 -1.855 . . . . 10.0 112.645 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.43 -23.13 61.79 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.325 1.05 . . . . 10.0 112.057 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.32 -32.81 37.86 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.412 -1.43 . . . . 10.0 112.202 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.8 -37.43 82.0 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.463 -1.398 . . . . 10.0 109.966 169.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.6 tptt -56.79 -37.8 71.65 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.749 0.819 . . . . 10.0 110.363 169.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.16 -38.22 75.41 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.31 4.2 p -77.25 -21.74 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-N 118.896 0.771 . . . . 10.0 112.488 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.48 -38.84 92.42 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 120.135 -1.603 . . . . 10.0 111.602 168.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -109.63 -24.58 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 117.329 2.344 . . . . 10.0 117.329 -166.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -151.29 72.56 8.42 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.386 0.674 . . . . 10.0 111.947 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 3.3 Cg_endo -58.72 49.85 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.118 1 C-N-CA 127.566 5.511 . . . . 10.0 119.114 -173.773 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 82.9 m-20 -72.79 149.16 43.88 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 119.81 -1.806 . . . . 10.0 108.744 167.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.3 m-20 -56.95 -26.32 59.42 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.754 0.649 . . . . 10.0 112.754 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.0 -40.75 90.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.159 0 CA-C-O 116.377 -1.773 . . . . 10.0 114.7 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.17 -24.41 64.06 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 122.531 2.423 . . . . 10.0 109.922 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 10.3 mttt -76.76 -43.36 37.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.613 1.565 . . . . 10.0 111.183 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.05 -33.86 76.75 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -64.58 -30.1 71.13 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 129.586 3.155 . . . . 10.0 109.177 169.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.2 tm? -65.18 -51.47 60.87 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 118.29 -1.364 . . . . 10.0 109.774 167.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -57.8 -26.74 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.544 1.138 . . . . 10.0 113.604 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -75.22 -44.49 46.02 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.965 2.506 . . . . 10.0 113.726 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -68.71 -38.63 80.38 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.819 -1.176 . . . . 10.0 111.618 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -62.81 -31.0 71.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.077 2.551 . . . . 10.0 111.705 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.42 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.012 0.925 . . . . 10.0 111.843 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.83 61.35 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 120.084 1.311 . . . . 10.0 109.615 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -51.39 -38.09 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 120.955 1.707 . . . . 10.0 110.3 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -68.93 -39.05 79.81 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.922 1.237 . . . . 10.0 114.005 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -55.19 32.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.337 1.455 . . . . 10.0 110.57 169.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.11 -43.37 98.98 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.424 3.09 . . . . 10.0 111.159 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.41 -43.39 70.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.894 1.678 . . . . 10.0 110.823 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.1 m -56.93 -49.88 74.29 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.105 0.962 . . . . 10.0 109.828 171.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -53.3 -60.51 3.21 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.541 -1.695 . . . . 10.0 108.9 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.414 1.916 . . . . 10.0 114.935 -170.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.76 -50.71 52.03 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.548 1.522 . . . . 10.0 110.641 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -33.96 75.17 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.097 0.948 . . . . 10.0 113.432 175.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -72.88 -52.98 12.62 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 130.611 3.564 . . . . 10.0 109.983 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.4 mttm -61.53 -30.33 70.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.128 0.971 . . . . 10.0 110.571 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -34.53 60.51 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.917 1.287 . . . . 10.0 113.338 168.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.72 -43.34 85.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 120.501 1.5 . . . . 10.0 107.53 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.82 -52.16 66.89 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 117.289 -1.339 . . . . 10.0 113.114 172.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.28 -24.86 57.65 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 121.428 1.922 . . . . 10.0 114.236 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.49 -44.08 19.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.471 1.109 . . . . 10.0 113.674 169.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -52.82 62.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.223 2.609 . . . . 10.0 112.766 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t -65.77 -44.69 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.647 1.979 . . . . 10.0 107.826 -169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 3.07 0.51 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.174 2.19 . . . . 10.0 115.248 171.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.92 -12.8 5.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.488 2.315 . . . . 10.0 113.155 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.14 -25.25 68.0 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.787 -1.195 . . . . 10.0 110.357 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -72.08 -6.91 45.82 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 130.0 3.32 . . . . 10.0 114.563 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.545 1.938 . . . . 10.0 111.353 -171.133 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.473 -0.195 . . . . 10.0 110.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.54 162.46 40.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.19 1.396 . . . . 10.0 111.777 175.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 54.73 -166.37 0.09 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.625 1.57 . . . . 10.0 113.997 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -150.95 162.77 40.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.625 1.57 . . . . 10.0 111.715 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.88 -11.3 14.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.938 1.295 . . . . 10.0 113.095 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -137.04 172.43 13.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.585 1.554 . . . . 10.0 111.236 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -134.85 150.56 50.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.905 1.282 . . . . 10.0 111.573 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.39 -169.05 36.82 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.278 1.418 . . . . 10.0 112.486 -176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.55 147.99 61.98 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 125.394 1.478 . . . . 10.0 111.305 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.45 150.13 35.59 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.504 2.803 . . . . 10.0 114.227 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.6 mm -67.12 141.2 96.2 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 124.013 0.925 . . . . 10.0 108.804 169.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -59.83 144.4 99.46 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.157 3.238 . . . . 10.0 112.284 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -61.4 127.23 88.04 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.039 0.936 . . . . 10.0 112.718 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.55 163.82 33.46 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.539 2.826 . . . . 10.0 112.748 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 tp -76.0 66.13 2.15 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.268 1.427 . . . . 10.0 111.184 173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.6 tp -144.2 146.32 32.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.332 1.453 . . . . 10.0 111.735 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.85 38.83 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.086 1.327 . . . . 10.0 113.204 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.56 -7.79 35.8 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.401 2.0 . . . . 10.0 116.401 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -144.14 144.55 31.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 10.0 112.467 -171.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -158.5 167.21 30.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.352 2.261 . . . . 10.0 110.078 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 p -133.95 158.16 44.2 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.5 1.12 . . . . 10.0 113.123 -173.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -152.19 156.37 39.63 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.444 1.898 . . . . 10.0 109.716 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -145.01 153.14 41.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.447 1.099 . . . . 10.0 112.262 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.7 tp -145.17 118.34 8.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.186 1.795 . . . . 10.0 109.437 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -144.28 8.91 1.41 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.278 1.031 . . . . 10.0 113.625 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -75.01 -2.35 26.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -138.25 161.72 36.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.196 1.799 . . . . 10.0 111.108 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.52 18.95 74.83 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 123.904 0.764 . . . . 10.0 114.183 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.9 pt -131.59 14.97 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.526 1.93 . . . . 10.0 112.35 -174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.02 140.31 77.77 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 125.695 1.598 . . . . 10.0 113.271 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.87 170.88 18.99 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.176 2.584 . . . . 10.0 113.374 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 63.05 7.53 2.76 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 117.054 2.242 . . . . 10.0 117.054 170.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.9 p -59.25 -40.17 85.12 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.299 -1.501 . . . . 10.0 113.67 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.43 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.376 26.6 ttt -89.03 -10.19 48.45 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 171.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -69.05 -38.33 79.05 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 119.937 -1.727 . . . . 10.0 106.987 166.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -35.42 80.28 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.715 1.606 . . . . 10.0 111.761 168.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.9 mm? -57.25 -51.52 69.02 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.621 1.555 . . . . 10.0 109.505 169.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.05 -25.66 65.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 120.55 -0.46 . . . . 10.0 112.178 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -78.84 -42.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.75 2.82 . . . . 10.0 114.009 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -36.89 30.34 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.913 -1.117 . . . . 10.0 112.941 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -24.46 66.61 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.672 1.589 . . . . 10.0 110.676 169.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.02 -39.59 29.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.362 1.465 . . . . 10.0 111.154 169.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.54 -42.34 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 10.0 111.84 171.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.446 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.47 -57.19 2.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 C-N-CA 125.6 1.56 . . . . 10.0 108.551 169.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.04 80.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.056 0.542 . . . . 10.0 111.927 -172.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -43.84 61.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.608 1.094 . . . . 10.0 112.26 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.62 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.324 2.0 t60 -68.18 -20.0 64.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.81 1.244 . . . . 10.0 111.44 170.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -78.09 -42.88 30.72 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 120.179 -1.576 . . . . 10.0 109.749 168.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -66.13 -37.91 86.86 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.677 1.581 . . . . 10.0 111.238 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.12 -24.01 67.3 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -0.969 . . . . 10.0 110.147 168.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 87' ' ' LEU . 20.9 tp -79.65 -42.92 23.81 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 117.708 -1.139 . . . . 10.0 113.51 174.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.9 m -60.2 -41.89 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 120.586 1.539 . . . . 10.0 109.997 170.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.9 m -69.03 -34.5 75.32 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 116.047 -1.93 . . . . 10.0 110.339 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.05 79.55 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.54 1.973 . . . . 10.0 111.189 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -64.09 -45.92 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.211 0.914 . . . . 10.0 110.546 169.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.87 -29.7 70.66 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.408 2.283 . . . . 10.0 112.893 178.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -76.96 -42.26 39.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 127.097 2.159 . . . . 10.0 110.127 174.105 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -65.02 -33.54 76.29 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 118.607 -0.711 . . . . 10.0 111.561 171.069 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -30.93 71.38 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 119.859 -1.776 . . . . 10.0 112.854 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.99 -22.72 60.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.342 1.057 . . . . 10.0 111.858 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.22 -32.54 38.47 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.364 -1.46 . . . . 10.0 111.69 168.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.91 -37.1 81.27 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.511 -1.368 . . . . 10.0 110.017 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 18.5 tptt -57.19 -37.62 72.43 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.492 0.717 . . . . 10.0 110.393 169.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.2 -38.07 75.23 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -77.36 -21.85 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.943 0.792 . . . . 10.0 112.456 169.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.16 -38.24 90.34 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.098 -1.626 . . . . 10.0 111.472 168.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.9 p -109.65 -24.72 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -166.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -151.29 72.96 8.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.314 0.645 . . . . 10.0 111.859 169.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.3 Cg_endo -59.64 50.03 0.07 OUTLIER 'Trans proline' 0 CA--C 1.547 1.142 1 C-N-CA 127.382 5.388 . . . . 10.0 118.974 -173.84 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 80.1 m-20 -73.48 149.87 42.02 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 119.943 -1.723 . . . . 10.0 108.643 167.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 77.4 m-20 -57.66 -23.03 49.22 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.56 -41.08 87.83 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 CA-C-O 116.185 -1.864 . . . . 10.0 114.376 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -69.99 -25.2 63.49 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 122.753 2.524 . . . . 10.0 109.968 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -76.06 -41.65 49.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.61 1.564 . . . . 10.0 111.056 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 m -67.84 -32.81 73.59 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 122.844 1.306 . . . . 10.0 114.364 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.3 m -66.54 -29.5 69.6 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 130.087 3.355 . . . . 10.0 108.963 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -65.86 -51.15 61.3 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 118.405 -1.318 . . . . 10.0 109.401 167.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.91 -26.26 61.94 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.485 1.114 . . . . 10.0 113.728 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -75.44 -45.25 39.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.859 2.463 . . . . 10.0 113.767 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.92 -39.22 83.56 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.898 -1.126 . . . . 10.0 111.375 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -62.88 -30.38 71.48 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 128.379 2.671 . . . . 10.0 111.845 169.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.41 69.14 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.008 0.923 . . . . 10.0 111.678 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.62 65.26 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 119.932 1.242 . . . . 10.0 109.378 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.7 -38.26 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 121.019 1.736 . . . . 10.0 110.307 173.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -69.2 -37.83 78.29 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 120.069 1.304 . . . . 10.0 113.975 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.4 m -55.88 -54.96 38.32 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.398 1.479 . . . . 10.0 110.312 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.745 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.91 -42.77 99.9 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 129.456 3.102 . . . . 10.0 111.197 -175.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.34 -42.37 68.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.886 1.674 . . . . 10.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -57.65 -48.64 78.92 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.64 0.776 . . . . 10.0 110.029 171.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.81 -60.41 3.4 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 116.725 -1.607 . . . . 10.0 109.158 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.7 mm? -63.75 -26.79 68.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 121.684 2.038 . . . . 10.0 114.332 -171.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.66 -51.66 39.89 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.517 1.508 . . . . 10.0 110.585 168.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -34.11 75.03 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.712 1.256 . . . . 10.0 113.492 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.4 tp -73.02 -53.5 10.99 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 130.133 3.373 . . . . 10.0 110.013 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.2 mttm -61.92 -28.79 69.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.036 0.934 . . . . 10.0 110.638 174.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -34.16 58.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.703 1.601 . . . . 10.0 113.863 169.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -59.46 -44.59 92.97 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 120.419 1.463 . . . . 10.0 107.063 168.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.68 -52.04 67.08 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.398 -1.287 . . . . 10.0 112.429 171.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.1 -24.48 54.31 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.444 1.929 . . . . 10.0 114.333 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -80.68 -45.83 16.54 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.455 1.102 . . . . 10.0 113.613 169.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.03 -52.94 59.22 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.346 2.658 . . . . 10.0 112.529 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 42.4 t -67.41 -43.68 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 126.822 2.049 . . . . 10.0 107.878 -169.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 8.02 0.3 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.852 2.061 . . . . 10.0 114.975 170.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.87 -18.16 4.31 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.155 2.182 . . . . 10.0 112.88 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -27.55 66.45 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 120.888 -1.133 . . . . 10.0 111.078 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -71.51 -21.12 61.96 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.14 2.976 . . . . 10.0 114.659 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.056 1.742 . . . . 10.0 112.322 -169.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttm . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.25 -28.15 66.45 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.97 -23.33 67.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.576 1.151 . . . . 10.0 113.526 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.79 121.68 15.58 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.112 -0.993 . . . . 10.0 112.666 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -143.1 145.92 33.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.938 1.695 . . . . 10.0 110.282 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -154.78 127.2 7.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.531 1.132 . . . . 10.0 111.399 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.434 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 10.4 t-80 51.88 -169.55 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.501 1.92 . . . . 10.0 114.679 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' CG ' ' A' ' 7' ' ' HIS . . . 73.49 9.42 77.95 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.402 1.321 . . . . 10.0 116.402 172.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.53 125.09 81.48 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.873 1.269 . . . . 10.0 111.815 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.83 152.24 29.5 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.694 2.929 . . . . 10.0 114.47 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -152.69 136.08 9.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 125.478 1.511 . . . . 10.0 110.394 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.89 150.05 48.59 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.254 2.636 . . . . 10.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -70.09 140.38 88.26 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.611 0.764 . . . . 10.0 110.511 171.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.17 148.65 75.31 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.165 1.91 . . . . 10.0 111.585 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt 46.43 31.75 1.39 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.381 1.873 . . . . 10.0 114.942 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.07 133.35 55.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.775 1.23 . . . . 10.0 112.696 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.04 33.75 0.21 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.943 1.259 . . . . 10.0 113.424 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -149.15 174.59 12.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.721 1.608 . . . . 10.0 112.606 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.33 15.91 2.78 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.652 1.581 . . . . 10.0 112.142 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -60.98 156.23 18.18 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.211 1.804 . . . . 10.0 113.778 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -150.26 160.03 44.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.097 1.359 . . . . 10.0 111.391 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -154.53 157.0 37.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.739 1.616 . . . . 10.0 110.577 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -60.33 160.62 8.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.556 1.143 . . . . 10.0 113.262 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -136.26 136.52 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.383 1.473 . . . . 10.0 110.148 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -71.24 155.82 40.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.65 0.78 . . . . 10.0 111.64 173.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -145.25 160.45 41.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.274 1.43 . . . . 10.0 111.157 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -138.08 151.25 47.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.759 1.224 . . . . 10.0 111.623 -174.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.76 23.99 0.29 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.153 0.882 . . . . 10.0 114.587 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pp -81.05 -4.88 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.677 1.191 . . . . 10.0 113.984 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.18 160.88 68.35 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.882 1.273 . . . . 10.0 112.52 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.11 -16.49 16.98 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.986 3.124 . . . . 10.0 116.399 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 t80 61.81 -7.35 0.11 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.959 2.504 . . . . 10.0 116.081 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -53.1 -40.89 64.46 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.595 -1.315 . . . . 10.0 114.071 -173.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.476 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.397 28.4 ttt -86.81 -13.03 46.25 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.668 1.359 . . . . 10.0 114.668 176.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -69.57 -38.79 77.53 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 119.95 -1.719 . . . . 10.0 107.018 166.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.37 77.98 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 10.0 112.079 168.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.7 mm? -57.81 -51.19 70.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.9 1.682 . . . . 10.0 109.645 169.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.58 -30.36 70.64 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 120.306 -0.557 . . . . 10.0 111.369 -169.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -71.61 -46.59 58.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.645 2.778 . . . . 10.0 114.11 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -36.82 29.56 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 124.855 1.262 . . . . 10.0 113.756 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -26.13 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.418 1.487 . . . . 10.0 110.573 170.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.5 -38.49 34.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 10.0 110.891 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -39.04 87.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.177 -0.952 . . . . 10.0 112.036 172.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.81 -57.16 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 125.69 1.596 . . . . 10.0 107.788 169.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -35.58 79.35 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.519 1.128 . . . . 10.0 112.691 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.08 36.23 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 120.614 -1.304 . . . . 10.0 112.605 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.305 2.2 t60 -73.63 -20.4 60.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.255 1.022 . . . . 10.0 110.447 169.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.87 -42.68 38.93 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 120.388 -1.445 . . . . 10.0 109.582 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.03 -39.71 90.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 120.016 1.28 . . . . 10.0 111.093 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -63.73 -24.31 67.72 Favored 'General case' 0 C--O 1.225 -0.21 0 O-C-N 121.204 -0.935 . . . . 10.0 110.247 168.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.3 tp -78.06 -43.01 30.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.675 -1.155 . . . . 10.0 113.732 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.5 m -60.68 -42.42 91.87 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 120.775 1.625 . . . . 10.0 110.293 169.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -67.44 -35.47 79.3 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 116.371 -1.776 . . . . 10.0 109.668 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.47 81.25 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.38 1.9 . . . . 10.0 111.122 171.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.8 mmm180 -63.57 -45.14 91.8 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.171 0.896 . . . . 10.0 110.499 169.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -29.4 70.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.101 2.161 . . . . 10.0 112.691 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -39.83 37.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.839 2.056 . . . . 10.0 109.586 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.356 0.3 OUTLIER -65.8 -37.1 85.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.935 -0.555 . . . . 10.0 110.851 169.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -65.38 -32.29 73.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 119.589 -1.944 . . . . 10.0 112.633 171.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 38.1 t70 -70.51 -22.78 62.6 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.595 1.158 . . . . 10.0 112.399 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.35 -33.34 37.4 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.535 -1.353 . . . . 10.0 112.204 168.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -66.18 -39.47 89.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.378 -1.451 . . . . 10.0 109.509 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . 1.4 tptm -61.1 -19.86 61.95 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.195 1.398 . . . . 10.0 112.257 169.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -82.94 -45.79 13.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 171.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.347 3.5 p -65.36 -19.51 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 120.895 -1.128 . . . . 10.0 111.402 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.6 -48.94 75.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.282 1.433 . . . . 10.0 111.163 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 64' ' ' ALA . 21.5 m -87.76 -37.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.422 1.489 . . . . 10.0 113.888 -169.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -152.01 76.51 7.19 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.518 0.727 . . . . 10.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.265 6.8 Cg_endo -61.66 54.78 0.11 Allowed 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.914 5.076 . . . . 10.0 117.664 -175.311 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -75.44 150.44 38.27 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 120.342 -1.474 . . . . 10.0 108.441 167.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.7 t70 -55.72 -27.48 50.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.701 0.762 . . . . 10.0 112.808 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.09 -42.26 95.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 CA-C-O 116.195 -1.859 . . . . 10.0 114.661 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -69.26 -23.42 63.85 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 122.826 2.557 . . . . 10.0 109.785 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 12.3 mttt -79.31 -39.64 32.35 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.224 1.41 . . . . 10.0 111.293 171.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 t -69.34 -31.86 70.57 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.464 -1.398 . . . . 10.0 114.095 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -65.29 -30.65 71.54 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 129.344 3.058 . . . . 10.0 108.156 168.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.29 -52.47 47.15 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 118.675 -1.21 . . . . 10.0 109.8 167.403 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -56.53 -24.93 50.08 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.177 1.391 . . . . 10.0 113.892 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 129.527 3.131 . . . . 10.0 114.062 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -66.45 -39.39 88.83 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.842 -1.161 . . . . 10.0 111.22 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -62.11 -31.37 71.82 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.308 2.643 . . . . 10.0 111.861 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.01 70.37 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 118.211 -0.899 . . . . 10.0 111.746 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.94 76.85 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 120.679 1.581 . . . . 10.0 110.32 168.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.44 -37.46 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.75 1.614 . . . . 10.0 110.064 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -69.25 -39.21 78.62 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.047 1.294 . . . . 10.0 114.167 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 m -54.13 -54.96 32.47 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.311 1.444 . . . . 10.0 110.642 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.47 -43.85 97.82 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 129.273 3.029 . . . . 10.0 111.106 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.58 -42.69 74.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.471 1.509 . . . . 10.0 110.803 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.4 m -57.69 -49.3 76.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.069 0.948 . . . . 10.0 110.198 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -53.25 -60.31 3.46 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 116.643 -1.646 . . . . 10.0 108.841 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.02 -29.84 71.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 121.375 1.898 . . . . 10.0 114.621 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.27 60.28 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.883 1.674 . . . . 10.0 111.133 169.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.87 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 117.976 0.888 . . . . 10.0 113.337 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.1 tp -72.1 -51.75 20.04 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 130.422 3.489 . . . . 10.0 110.214 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.554 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.6 mttt -61.51 -30.33 70.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.45 1.1 . . . . 10.0 110.352 173.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -34.93 61.88 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.156 1.382 . . . . 10.0 113.577 169.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -58.61 -43.33 89.59 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-N 120.408 1.458 . . . . 10.0 107.67 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.56 -52.33 66.1 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 117.27 -1.348 . . . . 10.0 112.709 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 121.563 1.983 . . . . 10.0 114.238 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -45.01 17.94 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.49 1.116 . . . . 10.0 113.598 168.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mp -54.62 -52.96 60.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.11 2.564 . . . . 10.0 112.548 174.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.1 t -66.76 -43.61 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 C-N-CA 126.727 2.011 . . . . 10.0 107.865 -169.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.89 5.43 0.48 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.892 2.077 . . . . 10.0 115.17 171.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.12 -21.47 4.64 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.543 2.337 . . . . 10.0 113.101 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.41 64.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.823 1.249 . . . . 10.0 111.424 169.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -70.7 -16.83 62.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 129.138 2.975 . . . . 10.0 114.877 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.057 1.743 . . . . 10.0 113.069 -169.283 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.562 0.22 . . . . 10.0 111.432 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -74.18 -2.48 24.91 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.746 1.758 . . . . 10.0 115.746 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -146.05 156.71 43.65 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.378 1.471 . . . . 10.0 112.513 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -68.13 -19.69 64.84 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -58.96 133.74 56.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.579 1.152 . . . . 10.0 112.697 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -158.99 172.33 18.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.91 2.084 . . . . 10.0 110.253 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -145.46 -35.22 0.31 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.28 40.8 92.41 Favored Glycine 0 CA--C 1.539 1.532 0 CA-C-N 119.28 0.945 . . . . 10.0 114.525 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -53.06 143.74 30.96 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 125.718 1.607 . . . . 10.0 113.832 -172.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.53 170.43 18.54 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 123.681 2.921 . . . . 10.0 112.584 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -121.22 138.06 27.56 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.615 1.566 . . . . 10.0 108.962 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.96 164.77 34.56 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.807 3.671 . . . . 10.0 113.411 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -147.49 163.35 28.24 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.816 1.646 . . . . 10.0 110.338 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.14 -8.52 18.8 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 122.869 2.379 . . . . 10.0 115.578 -170.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.5 mt 53.98 -168.3 0.07 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.484 1.913 . . . . 10.0 114.281 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.51 -53.56 0.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.394 1.477 . . . . 10.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.02 165.76 31.8 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.65 1.119 . . . . 10.0 113.59 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 tp -156.52 144.88 19.79 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.154 1.382 . . . . 10.0 111.251 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.67 -20.22 65.93 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -61.6 -65.01 0.76 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.032 0.933 . . . . 10.0 111.441 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -63.33 -24.18 67.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.555 1.142 . . . . 10.0 113.373 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.91 -42.44 90.18 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.152 -0.967 . . . . 10.0 112.946 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -158.47 -39.88 0.06 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.08 -4.19 40.07 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.592 1.331 . . . . 10.0 114.592 -169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -57.7 -19.88 30.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -147.86 144.99 28.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.338 1.055 . . . . 10.0 112.332 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -146.23 155.12 42.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.855 2.062 . . . . 10.0 109.449 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.65 2.5 0.03 OUTLIER Glycine 0 CA--C 1.537 1.463 0 N-CA-C 117.705 1.842 . . . . 10.0 117.705 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.88 151.84 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 119.618 1.709 . . . . 10.0 112.599 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.96 150.33 97.82 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.258 0.623 . . . . 10.0 112.235 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.01 142.98 32.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.247 2.631 . . . . 10.0 113.399 170.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 57.19 18.73 4.37 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.847 1.795 . . . . 10.0 115.847 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -55.85 -36.84 68.0 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . 0.388 25.0 ttt -92.18 -10.88 37.11 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.186 1.18 . . . . 10.0 114.186 173.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 m -68.33 -37.49 80.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.076 -1.64 . . . . 10.0 106.704 166.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -36.73 82.3 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.535 1.534 . . . . 10.0 111.765 168.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 1.6 mm? -56.82 -51.45 68.91 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.54 1.518 . . . . 10.0 109.813 169.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.65 -34.31 77.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.145 -170.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.33 -46.64 72.86 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.363 2.265 . . . . 10.0 112.988 169.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -36.61 33.99 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 119.699 1.136 . . . . 10.0 112.583 -172.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -65.85 -26.74 67.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.831 1.653 . . . . 10.0 110.757 170.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.0 -38.09 37.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.068 1.347 . . . . 10.0 111.462 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.51 -42.73 96.97 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.824 1.25 . . . . 10.0 111.029 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.76 -58.05 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 125.947 1.699 . . . . 10.0 108.649 169.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -38.86 78.65 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.912 0.485 . . . . 10.0 111.914 -172.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -39.83 70.82 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.379 0.99 . . . . 10.0 112.295 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.371 2.8 t60 -72.79 -20.01 61.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.445 1.498 . . . . 10.0 111.797 170.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.93 -40.99 37.85 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 119.931 -1.731 . . . . 10.0 109.307 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -37.75 86.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.419 1.463 . . . . 10.0 111.344 174.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.41 -23.45 66.31 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 121.004 -1.06 . . . . 10.0 110.264 168.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -77.82 -43.02 31.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 117.647 -1.168 . . . . 10.0 113.573 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m -60.59 -41.22 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 120.682 1.583 . . . . 10.0 110.205 169.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -67.73 -40.16 84.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 115.99 -1.957 . . . . 10.0 109.004 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.64 74.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 122.114 2.233 . . . . 10.0 111.484 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.4 mmm180 -61.97 -46.76 87.84 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.774 0.715 . . . . 10.0 110.531 169.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.98 -32.91 74.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.987 2.115 . . . . 10.0 113.154 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.4 mmpt? -73.77 -39.93 63.82 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 125.543 1.537 . . . . 10.0 109.422 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 77' ' ' LEU 0.463 0.0 OUTLIER -67.95 -33.07 73.96 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.326 -0.845 . . . . 10.0 111.566 172.187 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.85 73.77 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.798 -1.814 . . . . 10.0 113.34 169.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.3 -25.46 62.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.84 1.256 . . . . 10.0 112.231 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.75 37.84 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.711 -1.243 . . . . 10.0 111.81 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.36 -38.25 84.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.167 -1.583 . . . . 10.0 109.346 169.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.0 tptt -56.53 -36.64 69.45 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.794 0.838 . . . . 10.0 110.355 169.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.22 -39.53 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.312 3.3 p -76.13 -22.12 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-N 118.88 0.764 . . . . 10.0 112.487 169.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.06 -37.61 88.07 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 119.997 -1.689 . . . . 10.0 111.791 168.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.6 p -111.3 -24.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 117.508 2.41 . . . . 10.0 117.508 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -150.87 71.71 8.75 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.55 0.74 . . . . 10.0 112.137 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.275 4.8 Cg_endo -59.37 51.47 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.128 1 C-N-CA 127.609 5.539 . . . . 10.0 118.986 -173.608 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.9 m-20 -73.58 149.14 42.32 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.857 -1.777 . . . . 10.0 108.91 167.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.48 -23.08 47.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.73 -45.69 87.48 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 CA-C-O 116.422 -1.752 . . . . 10.0 113.326 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -64.85 -24.64 67.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.041 2.655 . . . . 10.0 110.59 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -79.1 -29.35 43.23 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.906 1.683 . . . . 10.0 112.981 171.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.7 m -80.36 -39.53 28.33 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.049 1.739 . . . . 10.0 113.876 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.2 m -57.94 -29.64 65.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 130.519 3.528 . . . . 10.0 108.04 167.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.5 -54.1 41.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 118.933 -1.107 . . . . 10.0 111.336 168.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -59.27 -26.09 64.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 125.979 1.712 . . . . 10.0 112.746 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.67 -45.7 57.59 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.15 2.58 . . . . 10.0 113.128 169.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.48 -41.19 80.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.766 1.27 . . . . 10.0 111.887 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -64.21 -28.14 69.54 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.402 2.681 . . . . 10.0 111.685 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.38 -32.71 64.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.163 0.985 . . . . 10.0 111.327 169.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.78 75.19 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.011 1.278 . . . . 10.0 109.053 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 58' ' ' LEU . 43.5 t -51.54 -39.75 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.983 1.719 . . . . 10.0 110.721 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -68.32 -38.47 81.61 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.086 1.312 . . . . 10.0 113.824 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.9 m -54.92 -54.73 38.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.272 1.429 . . . . 10.0 110.557 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -62.97 -44.16 96.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 129.44 3.096 . . . . 10.0 111.196 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.29 -43.46 73.81 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.879 1.672 . . . . 10.0 110.597 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -58.27 -49.42 77.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.885 0.874 . . . . 10.0 110.364 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -53.22 -60.26 3.52 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 116.96 -1.495 . . . . 10.0 108.962 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.564 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.9 mm? -62.98 -28.95 70.44 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 121.231 1.832 . . . . 10.0 114.842 -171.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.3 -50.7 54.85 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 120.761 1.619 . . . . 10.0 110.747 168.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -31.58 72.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.349 1.075 . . . . 10.0 113.751 176.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -74.83 -52.27 11.81 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 129.944 3.298 . . . . 10.0 109.696 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HE2' HD12 ' A' ' 91' ' ' LEU . 42.4 mttm -61.37 -31.02 70.91 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.23 1.012 . . . . 10.0 110.497 174.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -35.22 61.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.963 1.305 . . . . 10.0 113.591 169.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.07 -43.49 82.16 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.775 1.625 . . . . 10.0 107.835 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.72 -52.11 67.09 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-O 117.302 -1.332 . . . . 10.0 112.574 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -24.54 51.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.341 1.882 . . . . 10.0 114.476 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.63 -44.96 18.03 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.601 1.091 . . . . 10.0 113.668 169.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -55.15 -53.56 54.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.044 2.537 . . . . 10.0 112.585 174.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.58 -43.4 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 126.695 1.998 . . . . 10.0 107.775 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 7.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.109 2.164 . . . . 10.0 115.305 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.74 -20.43 3.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.399 2.279 . . . . 10.0 112.813 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -27.65 67.19 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.315 1.046 . . . . 10.0 111.488 169.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -70.23 -28.66 65.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.508 2.723 . . . . 10.0 114.457 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.251 1.82 . . . . 10.0 112.987 -170.255 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.345 0.117 . . . . 10.0 110.711 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -137.93 165.28 26.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.349 1.46 . . . . 10.0 111.686 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -140.37 166.0 25.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.198 1.399 . . . . 10.0 112.002 -174.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -150.13 177.56 9.79 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.584 1.554 . . . . 10.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -137.75 152.09 48.84 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.956 1.302 . . . . 10.0 111.877 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -142.55 156.7 45.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.822 1.249 . . . . 10.0 111.485 -171.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -141.85 171.48 14.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.068 1.347 . . . . 10.0 112.15 -170.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.78 173.22 50.21 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.537 1.065 . . . . 10.0 115.307 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -63.67 155.24 77.3 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.991 1.716 . . . . 10.0 113.4 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.87 169.26 15.11 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.559 2.839 . . . . 10.0 113.276 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.46 158.66 28.33 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 125.102 1.361 . . . . 10.0 113.656 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.96 162.58 1.03 Allowed 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.572 4.181 . . . . 10.0 115.79 173.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -144.68 158.04 54.14 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.829 1.651 . . . . 10.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.73 177.32 7.05 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.41 2.74 . . . . 10.0 112.022 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.02 -29.87 68.78 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.525 1.306 . . . . 10.0 114.525 -175.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt 49.12 40.8 18.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.626 1.571 . . . . 10.0 113.364 -174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.63 174.54 33.66 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.471 1.51 . . . . 10.0 113.26 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 tp -148.05 152.8 38.01 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.558 1.543 . . . . 10.0 110.978 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.89 119.16 3.98 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.978 1.311 . . . . 10.0 112.69 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -146.93 160.83 41.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.836 1.654 . . . . 10.0 111.707 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -150.71 160.25 43.97 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.821 1.248 . . . . 10.0 111.367 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -144.78 155.99 43.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.88 1.672 . . . . 10.0 111.27 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -151.42 166.55 30.73 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.266 1.426 . . . . 10.0 110.943 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.39 136.94 47.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.615 1.566 . . . . 10.0 110.565 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -147.97 17.14 1.1 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.809 1.644 . . . . 10.0 112.326 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -148.54 167.54 25.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.474 1.91 . . . . 10.0 111.465 -170.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -154.32 -179.67 8.15 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.592 1.557 . . . . 10.0 111.669 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.33 176.63 28.86 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.932 1.253 . . . . 10.0 113.156 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.0 tt -156.39 163.47 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.966 1.706 . . . . 10.0 110.381 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.72 142.42 42.02 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.087 1.355 . . . . 10.0 110.247 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.51 -36.41 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.754 1.636 . . . . 10.0 114.322 -169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -55.16 -43.94 74.7 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -61.28 -39.05 88.98 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.781 -0.575 . . . . 10.0 111.982 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.392 28.3 ttt -85.27 -16.19 40.95 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.451 1.278 . . . . 10.0 114.451 175.295 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.7 m -66.11 -40.12 90.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.809 -1.807 . . . . 10.0 107.546 167.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -35.94 82.62 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.849 1.26 . . . . 10.0 112.396 169.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 3.4 mm? -57.68 -50.13 74.2 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.798 1.635 . . . . 10.0 109.973 169.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.81 -28.56 67.69 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.247 -0.581 . . . . 10.0 111.602 -169.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.73 -46.98 50.75 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.62 2.768 . . . . 10.0 113.295 169.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 -36.75 24.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 124.56 1.144 . . . . 10.0 113.899 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -26.07 67.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.61 1.564 . . . . 10.0 110.341 169.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.3 -38.78 34.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.512 1.125 . . . . 10.0 110.887 168.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -59.67 -42.47 92.93 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.779 0.832 . . . . 10.0 111.651 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.476 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.51 -56.98 2.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 C-N-CA 125.809 1.643 . . . . 10.0 108.448 169.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -38.86 82.69 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.97 0.908 . . . . 10.0 112.331 -173.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.9 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.983 -1.073 . . . . 10.0 112.265 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.432 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.298 1.9 t60 -71.42 -19.5 62.24 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.785 1.634 . . . . 10.0 110.651 169.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.78 -41.74 29.72 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.088 -1.632 . . . . 10.0 109.153 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.27 -38.62 88.23 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.272 1.396 . . . . 10.0 111.432 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -70.96 -19.11 62.59 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 120.882 -1.136 . . . . 10.0 110.746 168.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 16.6 tp -74.09 -42.61 59.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 120.42 1.463 . . . . 10.0 112.698 169.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.8 m -61.13 -42.56 93.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 120.21 1.368 . . . . 10.0 110.407 170.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -66.1 -38.9 89.36 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-O 116.135 -1.888 . . . . 10.0 109.324 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.05 77.96 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 122.226 2.284 . . . . 10.0 111.32 173.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.1 mmm180 -62.9 -42.3 99.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.985 0.811 . . . . 10.0 110.765 169.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.597 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.93 -34.18 73.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.294 2.237 . . . . 10.0 113.475 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -72.35 -38.64 68.54 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.949 1.7 . . . . 10.0 109.046 172.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.37 0.2 OUTLIER -66.8 -36.75 83.11 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.843 -0.598 . . . . 10.0 111.43 172.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.11 -31.5 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 119.967 -1.708 . . . . 10.0 112.658 171.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.51 -24.07 62.77 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.697 1.199 . . . . 10.0 112.441 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.46 40.29 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.815 -1.178 . . . . 10.0 112.237 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.62 -39.91 88.55 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.308 -1.495 . . . . 10.0 109.704 169.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -61.05 -19.82 61.84 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 125.427 1.491 . . . . 10.0 112.222 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -83.13 -45.6 13.76 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.03 1.493 . . . . 10.0 115.03 171.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.342 3.5 p -65.64 -19.65 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 120.888 -1.133 . . . . 10.0 111.424 169.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.07 -48.48 78.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.382 1.473 . . . . 10.0 111.21 167.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 22.5 m -88.92 -37.47 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.5 1.52 . . . . 10.0 113.92 -169.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -151.93 76.54 7.24 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 10.0 111.647 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.264 7.5 Cg_endo -61.57 51.71 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.087 1 C-N-CA 126.983 5.122 . . . . 10.0 117.819 -175.808 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.7 m-20 -73.46 149.84 42.08 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.178 -1.576 . . . . 10.0 108.209 167.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.1 m-20 -57.73 -22.5 46.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.76 -41.89 88.57 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 CA-C-O 116.164 -1.874 . . . . 10.0 114.507 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -69.97 -25.13 63.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.789 2.541 . . . . 10.0 109.765 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.9 mttt -76.5 -41.98 45.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.417 1.487 . . . . 10.0 111.078 169.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m -66.5 -32.58 74.02 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.97 1.367 . . . . 10.0 114.182 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 m -66.81 -29.72 69.73 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 130.167 3.387 . . . . 10.0 108.954 169.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.1 tm? -66.23 -50.8 62.57 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.51 -1.276 . . . . 10.0 109.545 167.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -57.97 -26.98 63.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 10.0 113.73 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -74.4 -45.06 49.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.763 2.425 . . . . 10.0 113.557 170.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -68.06 -38.52 82.52 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.866 -1.146 . . . . 10.0 111.475 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.377 2.671 . . . . 10.0 111.816 169.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.23 68.03 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.163 0.985 . . . . 10.0 111.626 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.92 -48.75 67.69 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 119.937 1.244 . . . . 10.0 109.57 168.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.14 -39.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 121.155 1.798 . . . . 10.0 110.281 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.58 -36.98 81.94 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.15 1.341 . . . . 10.0 113.914 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -57.53 -56.13 25.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.39 1.476 . . . . 10.0 110.718 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.3 mm? -60.65 -42.13 96.38 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.59 3.156 . . . . 10.0 110.447 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.04 -43.76 64.44 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.319 1.848 . . . . 10.0 111.335 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.8 m -57.97 -48.2 80.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.507 0.723 . . . . 10.0 110.129 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -54.68 -60.29 3.56 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 116.391 -1.766 . . . . 10.0 109.029 172.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -62.92 -29.29 70.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 121.695 2.043 . . . . 10.0 114.635 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.08 -51.9 49.14 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 120.396 1.453 . . . . 10.0 110.355 169.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -32.56 73.99 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.905 1.353 . . . . 10.0 114.126 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.4 tp -72.2 -51.49 20.89 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 129.439 3.096 . . . . 10.0 109.36 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.5 mttm -62.33 -30.97 71.55 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.102 0.961 . . . . 10.0 110.574 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -31.6 59.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.797 1.239 . . . . 10.0 113.631 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.92 -45.09 96.05 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 120.508 1.504 . . . . 10.0 107.078 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.73 -50.68 71.5 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 117.423 -1.275 . . . . 10.0 112.439 173.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -25.35 60.46 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 121.224 1.829 . . . . 10.0 114.772 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.6 -43.82 19.93 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.491 1.041 . . . . 10.0 113.676 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -53.37 55.76 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 128.233 2.613 . . . . 10.0 112.851 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 37' ' ' LEU . 40.8 t -66.92 -45.33 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 126.822 2.049 . . . . 10.0 107.921 -169.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 0.47 0.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.738 2.015 . . . . 10.0 115.138 171.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.81 -19.87 7.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.051 2.14 . . . . 10.0 113.401 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.87 -25.8 65.35 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.04 1.336 . . . . 10.0 111.269 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -75.17 -12.76 60.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.253 3.021 . . . . 10.0 114.756 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.875 1.67 . . . . 10.0 113.61 -169.365 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.198 -0.43 . . . . 10.0 110.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -63.97 155.27 31.51 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.79 0.836 . . . . 10.0 112.046 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -153.06 -46.17 0.1 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.961 0.904 . . . . 10.0 113.347 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -153.82 152.42 30.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.208 1.403 . . . . 10.0 110.999 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -143.04 150.48 39.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 10.0 111.645 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.06 143.73 57.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.186 0.994 . . . . 10.0 112.446 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -143.72 163.0 34.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.872 1.669 . . . . 10.0 111.716 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -172.86 49.26 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.015 1.293 . . . . 10.0 114.845 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -136.36 153.45 76.35 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 126.296 1.839 . . . . 10.0 111.943 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.96 170.27 17.22 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.663 2.909 . . . . 10.0 113.293 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -145.08 143.29 20.06 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.751 1.62 . . . . 10.0 111.246 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.29 163.57 1.59 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.991 3.794 . . . . 10.0 115.58 172.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -144.08 141.57 18.6 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.493 1.517 . . . . 10.0 110.316 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -70.92 172.04 14.55 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.118 2.545 . . . . 10.0 113.001 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.6 mt -125.45 4.73 7.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.583 1.553 . . . . 10.0 113.285 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -152.43 177.46 10.58 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.793 2.037 . . . . 10.0 111.235 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.91 -17.53 0.05 OUTLIER Glycine 0 CA--C 1.537 1.429 0 N-CA-C 117.09 1.596 . . . . 10.0 117.09 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -147.26 173.03 12.94 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.285 1.543 . . . . 10.0 113.536 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.48 160.92 43.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.634 1.974 . . . . 10.0 110.387 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p -147.79 160.37 42.81 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.322 1.049 . . . . 10.0 113.738 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.5 p -142.1 16.57 2.09 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.58 1.552 . . . . 10.0 113.502 -172.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.71 140.73 50.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.194 1.398 . . . . 10.0 113.745 -175.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -150.98 149.25 29.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.904 1.682 . . . . 10.0 110.561 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -145.51 157.2 44.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.969 1.708 . . . . 10.0 111.789 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -143.09 152.92 42.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.648 1.579 . . . . 10.0 111.519 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -145.88 -9.17 0.54 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.895 1.278 . . . . 10.0 114.055 -170.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -64.77 -16.15 62.61 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.101 2.16 . . . . 10.0 116.37 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.33 30.26 0.63 Allowed Glycine 0 N--CA 1.474 1.226 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 -170.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.8 pt -123.45 -6.29 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' H ' ' HD2' ' A' ' 31' ' ' PRO . 28.0 t70 -158.23 -41.62 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 116.027 1.862 . . . . 10.0 116.027 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HD2' ' H ' ' A' ' 30' ' ' ASP . 10.3 Cg_endo -46.24 -20.38 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.087 4.525 . . . . 10.0 117.961 169.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.68 -33.77 56.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 -174.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 t -60.43 -32.37 71.3 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.212 -0.93 . . . . 10.0 113.1 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.433 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.37 24.7 ttt -91.81 -16.47 26.75 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.824 1.046 . . . . 10.0 113.824 170.468 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -62.41 -38.04 88.14 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.145 -1.597 . . . . 10.0 107.653 166.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.542 1.537 . . . . 10.0 112.292 168.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.0 mm? -56.32 -50.12 72.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.652 1.569 . . . . 10.0 110.082 169.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.01 -38.04 87.43 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.705 -0.398 . . . . 10.0 110.748 -170.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.66 -48.46 77.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.767 2.027 . . . . 10.0 112.768 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -36.06 34.45 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.431 1.014 . . . . 10.0 112.842 -171.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -66.68 -26.44 67.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.652 1.581 . . . . 10.0 110.951 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.55 -37.72 35.8 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.562 1.145 . . . . 10.0 111.073 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.52 -43.69 93.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.944 1.297 . . . . 10.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -49.5 -57.67 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 125.798 1.639 . . . . 10.0 108.366 169.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -39.15 85.11 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.982 0.913 . . . . 10.0 112.405 -172.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.22 64.66 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.071 -1.018 . . . . 10.0 112.017 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.385 3.2 t60 -71.61 -19.3 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.806 1.642 . . . . 10.0 112.004 170.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.43 -41.34 27.85 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.31 -1.494 . . . . 10.0 109.525 168.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.51 -37.69 85.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.466 1.485 . . . . 10.0 111.379 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.54 -22.78 66.74 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.086 -1.009 . . . . 10.0 110.068 168.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.4 tp -80.12 -43.15 22.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 117.521 -1.228 . . . . 10.0 113.115 174.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.4 m -59.98 -42.05 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 CA-C-N 120.604 1.547 . . . . 10.0 109.882 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 m -67.02 -39.49 87.07 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.901 -1.999 . . . . 10.0 109.122 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.73 76.43 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 122.301 2.319 . . . . 10.0 111.576 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -63.14 -42.48 99.49 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.982 0.81 . . . . 10.0 110.785 169.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.31 -34.12 74.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.224 2.21 . . . . 10.0 113.242 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.04 -38.74 69.47 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 125.894 1.677 . . . . 10.0 109.146 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.366 0.2 OUTLIER -66.97 -37.07 83.57 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.979 -0.534 . . . . 10.0 111.441 171.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.31 -30.51 71.37 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.846 -1.784 . . . . 10.0 112.658 171.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.33 -24.94 62.21 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.626 1.171 . . . . 10.0 112.298 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.77 48.74 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.544 -1.347 . . . . 10.0 112.082 169.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.2 -38.51 85.45 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.52 -1.362 . . . . 10.0 109.997 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.49 -21.79 62.8 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 117.791 -1.1 . . . . 10.0 112.216 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.87 -46.0 14.71 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.251 1.574 . . . . 10.0 115.251 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p -65.38 -19.78 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 120.915 -1.116 . . . . 10.0 111.477 169.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.42 -47.57 81.39 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.561 1.544 . . . . 10.0 111.525 168.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.4 m -89.72 -37.62 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.376 1.47 . . . . 10.0 113.867 -169.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -152.09 77.74 6.77 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.602 0.761 . . . . 10.0 111.072 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.272 6.2 Cg_endo -60.92 53.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 126.987 5.125 . . . . 10.0 117.653 -176.35 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 74.4 m-20 -73.67 148.26 42.93 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 120.271 -1.518 . . . . 10.0 108.309 167.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 78.2 m-20 -57.13 -25.82 59.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.17 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-O 116.275 -1.821 . . . . 10.0 114.842 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.22 -24.41 64.02 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 122.609 2.459 . . . . 10.0 109.623 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.4 mttt -77.59 -42.91 33.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.37 1.468 . . . . 10.0 111.222 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.0 m -65.74 -32.81 74.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.464 -1.398 . . . . 10.0 114.46 171.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 m -65.63 -29.82 70.45 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 129.647 3.179 . . . . 10.0 108.875 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.05 -50.93 62.45 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 118.522 -1.271 . . . . 10.0 109.761 167.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -58.42 -26.7 63.57 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.477 1.111 . . . . 10.0 113.746 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.18 -45.04 50.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.089 2.555 . . . . 10.0 113.526 170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -68.36 -39.47 81.81 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.947 -1.096 . . . . 10.0 111.548 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.43 -30.75 71.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.421 2.689 . . . . 10.0 111.947 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.67 71.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.993 0.917 . . . . 10.0 111.484 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.22 74.17 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 120.372 1.442 . . . . 10.0 110.075 168.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.74 -37.11 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.146 1.794 . . . . 10.0 110.19 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -69.08 -39.06 79.28 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.177 1.353 . . . . 10.0 113.946 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -54.72 -54.64 39.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.203 1.401 . . . . 10.0 110.436 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.32 -42.83 99.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.961 2.904 . . . . 10.0 110.697 -175.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.2 -43.27 71.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.723 1.609 . . . . 10.0 111.068 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 -48.77 79.23 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.11 0.964 . . . . 10.0 110.069 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -54.04 -60.34 3.45 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-O 116.968 -1.492 . . . . 10.0 108.985 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD12 ' HE2' ' A' ' 95' ' ' LYS . 4.0 mm? -63.18 -26.83 68.99 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 121.895 2.134 . . . . 10.0 114.851 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.41 -49.96 47.63 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 120.915 1.689 . . . . 10.0 110.842 168.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.61 75.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.237 1.019 . . . . 10.0 113.588 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.9 tp -73.58 -53.19 11.09 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 130.84 3.656 . . . . 10.0 110.2 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.582 ' HE2' HD12 ' A' ' 91' ' ' LEU . 44.2 mttm -61.45 -28.88 69.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.888 0.875 . . . . 10.0 110.52 174.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.93 60.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.228 1.411 . . . . 10.0 113.414 169.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -55.67 -44.37 77.23 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 120.485 1.493 . . . . 10.0 107.71 169.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.8 -52.73 64.45 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 117.389 -1.291 . . . . 10.0 112.936 172.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.96 53.32 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 121.285 1.857 . . . . 10.0 114.253 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.68 -45.08 17.75 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.522 1.129 . . . . 10.0 113.851 169.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.06 -53.4 53.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.273 2.629 . . . . 10.0 112.384 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.8 t -66.2 -45.28 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 126.778 2.031 . . . . 10.0 107.878 -169.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 3.31 0.66 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.929 2.091 . . . . 10.0 115.152 171.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.84 -22.94 5.16 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.24 2.216 . . . . 10.0 113.216 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -27.98 62.24 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.014 1.326 . . . . 10.0 111.63 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.35 -23.51 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.87 2.868 . . . . 10.0 114.797 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.206 1.802 . . . . 10.0 113.2 -169.62 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -149.67 167.41 26.48 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.02 1.328 . . . . 10.0 111.443 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -64.37 -17.95 64.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.225 1.41 . . . . 10.0 114.602 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -150.06 169.69 20.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.847 1.659 . . . . 10.0 110.742 176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -148.86 164.03 35.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.111 1.364 . . . . 10.0 112.513 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -64.88 162.44 16.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.384 1.074 . . . . 10.0 113.496 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -65.29 162.02 18.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 10.0 113.054 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.49 174.6 47.07 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.403 1.478 . . . . 10.0 112.53 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -140.39 146.39 45.23 Favored Pre-proline 0 N--CA 1.48 1.073 0 C-N-CA 125.522 1.529 . . . . 10.0 111.806 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.55 171.27 18.55 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.601 2.867 . . . . 10.0 112.474 176.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -147.09 139.02 13.68 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 125.38 1.472 . . . . 10.0 110.554 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -52.37 141.23 51.26 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 124.261 3.307 . . . . 10.0 114.121 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -154.46 133.44 7.22 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.058 1.343 . . . . 10.0 110.558 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -81.11 138.24 11.21 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.22 2.614 . . . . 10.0 112.846 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.78 -46.15 0.4 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.846 1.258 . . . . 10.0 111.993 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -144.12 167.74 21.67 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.43 1.892 . . . . 10.0 111.139 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.34 175.03 46.71 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.866 1.222 . . . . 10.0 113.143 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 tp -150.98 145.49 25.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.281 1.433 . . . . 10.0 110.939 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -150.37 167.72 26.23 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.718 1.607 . . . . 10.0 111.793 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -59.6 150.8 26.26 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.133 1.373 . . . . 10.0 114.506 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 p -139.48 172.51 12.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.964 1.706 . . . . 10.0 111.671 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.29 -0.72 7.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.008 1.723 . . . . 10.0 113.811 -174.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 46.07 42.18 9.31 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.952 2.101 . . . . 10.0 114.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.73 -0.6 2.23 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.576 1.695 . . . . 10.0 115.576 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -73.69 35.58 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 127.806 2.442 . . . . 10.0 114.126 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -55.51 141.31 37.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.404 1.482 . . . . 10.0 112.683 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.62 141.91 58.61 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.137 0.975 . . . . 10.0 112.836 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.05 153.48 8.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.599 1.571 . . . . 10.0 112.39 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -34.91 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -155.23 152.37 24.84 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.298 1.839 . . . . 10.0 110.661 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.54 -0.96 10.75 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 123.823 3.016 . . . . 10.0 114.514 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -119.67 18.98 12.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.728 1.611 . . . . 10.0 114.22 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -51.6 -38.94 56.86 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.404 27.0 ttt -87.14 -13.83 42.99 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.511 1.3 . . . . 10.0 114.511 175.008 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.7 m -67.61 -38.1 83.46 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 119.92 -1.738 . . . . 10.0 107.466 166.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -36.47 83.27 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.009 1.324 . . . . 10.0 111.891 168.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.3 mm? -56.83 -51.13 70.19 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.542 1.519 . . . . 10.0 109.991 169.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.16 -33.43 75.76 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.127 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.66 -48.52 66.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.189 2.196 . . . . 10.0 112.942 169.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -35.5 36.28 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.42 1.009 . . . . 10.0 112.555 -171.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -25.97 66.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.738 1.615 . . . . 10.0 110.706 171.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.11 -37.69 33.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.905 1.282 . . . . 10.0 111.319 168.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.68 -42.4 97.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.658 1.183 . . . . 10.0 111.47 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.503 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -49.98 -56.65 3.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 126.145 1.778 . . . . 10.0 107.853 169.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -66.72 -38.82 87.46 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.139 0.976 . . . . 10.0 112.328 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.41 -40.02 58.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.6 1.091 . . . . 10.0 112.677 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.592 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.303 1.9 t60 -71.36 -19.97 62.22 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.81 1.244 . . . . 10.0 110.625 169.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 52' ' ' VAL . 8.2 mt-10 -76.7 -44.44 33.5 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 120.348 -1.47 . . . . 10.0 109.529 168.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -66.66 -37.44 84.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.797 1.635 . . . . 10.0 111.445 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.03 -26.42 68.26 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 121.278 -0.889 . . . . 10.0 110.225 168.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 87' ' ' LEU . 11.3 tp -73.17 -50.87 20.18 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.105 -0.95 . . . . 10.0 112.938 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 48' ' ' GLU . 1.4 m -58.38 -37.98 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 120.398 1.453 . . . . 10.0 110.306 173.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.1 m -68.52 -42.37 78.62 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 115.864 -2.017 . . . . 10.0 109.664 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.97 65.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.236 2.289 . . . . 10.0 111.25 171.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.27 -39.05 75.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.243 0.617 . . . . 10.0 112.368 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.592 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.1 -32.54 72.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.772 2.029 . . . . 10.0 112.827 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.2 mmpt? -72.32 -38.92 68.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.604 1.562 . . . . 10.0 109.301 172.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -67.15 -35.99 80.89 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.577 -0.725 . . . . 10.0 111.785 170.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -64.82 -31.25 72.39 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 119.911 -1.743 . . . . 10.0 112.402 171.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.47 -24.02 62.79 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.67 1.188 . . . . 10.0 112.337 169.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.17 -33.44 38.37 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.637 -1.29 . . . . 10.0 112.182 169.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -66.46 -38.39 87.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.359 -1.463 . . . . 10.0 109.858 169.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.8 tptt -60.34 -22.69 63.54 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.516 1.126 . . . . 10.0 112.106 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.91 -45.97 15.93 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.233 1.568 . . . . 10.0 115.233 172.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.335 3.5 p -65.49 -19.74 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.019 -1.051 . . . . 10.0 111.388 169.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.42 -49.07 75.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.302 1.441 . . . . 10.0 111.308 167.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.0 m -87.13 -38.31 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.262 1.425 . . . . 10.0 113.809 -169.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -152.22 78.83 6.36 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 123.415 0.686 . . . . 10.0 110.853 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.9 Cg_endo -60.86 53.51 0.09 OUTLIER 'Trans proline' 0 CA--C 1.545 1.057 1 C-N-CA 127.061 5.174 . . . . 10.0 117.412 -176.655 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.6 m-20 -74.33 148.13 41.61 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 120.335 -1.478 . . . . 10.0 108.433 167.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 75.8 m-20 -57.86 -22.95 50.67 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -174.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.83 -41.66 88.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.17 0 CA-C-O 116.235 -1.84 . . . . 10.0 114.422 169.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -69.91 -25.55 63.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 122.71 2.504 . . . . 10.0 109.592 -175.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.7 mttt -76.4 -41.41 47.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.288 1.435 . . . . 10.0 111.139 169.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -67.25 -33.77 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.971 1.367 . . . . 10.0 114.228 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.4 m -65.33 -29.48 70.23 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 130.086 3.354 . . . . 10.0 108.847 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.07 -51.36 58.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 118.698 -1.201 . . . . 10.0 109.783 167.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.94 -26.4 62.21 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 10.0 113.721 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -74.81 -45.67 41.88 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.959 2.504 . . . . 10.0 113.695 170.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -68.22 -37.89 81.33 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.756 -1.215 . . . . 10.0 111.266 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -62.61 -32.08 73.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.304 2.642 . . . . 10.0 111.85 169.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.51 69.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.394 1.077 . . . . 10.0 111.718 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -48.1 64.96 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 120.065 1.302 . . . . 10.0 109.528 168.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 HD11 ' A' ' 51' ' ' LEU . 69.7 t -54.42 -35.37 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 121.076 1.762 . . . . 10.0 110.188 174.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -69.96 -37.77 75.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.127 1.331 . . . . 10.0 114.292 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.1 m -56.27 -55.79 28.96 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.302 1.441 . . . . 10.0 110.619 169.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.26 -42.28 98.36 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 129.034 2.934 . . . . 10.0 110.893 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.52 -41.32 72.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.384 1.473 . . . . 10.0 110.892 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.8 m -58.07 -49.35 77.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.525 0.73 . . . . 10.0 109.891 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -53.4 -59.98 3.88 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 116.492 -1.718 . . . . 10.0 109.23 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.5 mm? -64.33 -29.47 70.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.615 1.552 . . . . 10.0 114.196 -171.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.56 -48.88 73.81 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 120.438 1.472 . . . . 10.0 110.45 169.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -28.25 67.01 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.715 1.258 . . . . 10.0 114.322 176.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 94' ' ' LEU . 4.5 tp -76.35 -48.89 18.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 127.925 2.49 . . . . 10.0 108.706 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 91' ' ' LEU . 46.2 mttm -65.1 -30.58 71.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.395 1.078 . . . . 10.0 110.692 174.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -38.03 63.84 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 117.616 -1.183 . . . . 10.0 112.771 169.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.76 -48.47 69.68 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.699 -1.593 . . . . 10.0 106.699 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -50.86 69.94 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.781 -1.104 . . . . 10.0 112.002 175.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.85 -27.14 59.85 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.186 1.812 . . . . 10.0 114.961 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.19 -42.77 22.71 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 10.0 113.636 169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.89 -53.46 55.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.12 2.568 . . . . 10.0 112.481 173.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 37' ' ' LEU . 42.2 t -67.29 -44.47 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 127.091 2.156 . . . . 10.0 108.169 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.89 1.52 0.89 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.344 1.858 . . . . 10.0 114.957 171.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.63 -19.91 7.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.182 2.193 . . . . 10.0 113.429 171.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -27.26 65.77 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.452 1.101 . . . . 10.0 111.514 169.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -73.44 -21.57 60.43 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.94 2.896 . . . . 10.0 114.621 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.198 1.799 . . . . 10.0 113.146 -169.75 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.521 0.201 . . . . 10.0 110.852 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -60.86 -34.23 74.29 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.861 1.43 . . . . 10.0 114.861 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 t60 57.66 -23.08 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 129.06 2.944 . . . . 10.0 117.523 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 17.7 t60 -143.39 -161.86 1.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.089 2.156 . . . . 10.0 110.213 -177.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.583 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 71.6 m-70 65.8 1.46 1.82 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.787 2.435 . . . . 10.0 115.342 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.73 -20.08 2.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.398 1.879 . . . . 10.0 112.427 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -154.78 158.09 38.95 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.784 2.034 . . . . 10.0 109.885 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.96 173.7 45.23 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.716 1.151 . . . . 10.0 113.29 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -142.44 150.08 53.37 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 126.355 1.862 . . . . 10.0 111.267 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.02 152.2 62.56 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.023 2.482 . . . . 10.0 112.146 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.65 150.36 93.42 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 124.419 1.087 . . . . 10.0 111.817 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.08 162.44 38.23 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.946 3.764 . . . . 10.0 113.404 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -146.99 133.2 9.58 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.788 1.235 . . . . 10.0 111.022 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.72 179.0 6.93 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.057 3.171 . . . . 10.0 113.21 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.98 140.23 52.79 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 10.0 111.454 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -76.94 174.9 10.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.622 1.569 . . . . 10.0 113.765 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.34 175.47 41.78 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.05 1.309 . . . . 10.0 113.258 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -140.93 170.84 14.97 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.217 1.807 . . . . 10.0 111.515 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -121.95 12.3 10.44 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.798 1.639 . . . . 10.0 112.647 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -152.47 175.27 12.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.181 1.793 . . . . 10.0 111.286 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -64.88 168.85 5.79 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.018 1.327 . . . . 10.0 112.976 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -146.81 165.42 29.74 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.246 1.418 . . . . 10.0 112.794 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -81.13 4.27 20.63 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.186 1.55 . . . . 10.0 115.186 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.9 119.19 6.29 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.83 1.252 . . . . 10.0 111.762 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -72.28 166.23 22.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.161 0.984 . . . . 10.0 112.984 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -60.81 158.83 12.18 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.299 1.44 . . . . 10.0 113.876 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -132.79 16.0 4.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.519 1.528 . . . . 10.0 112.695 -175.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.15 47.85 3.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 126.097 1.808 . . . . 10.0 114.785 -174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -144.39 148.6 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.855 1.662 . . . . 10.0 110.927 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -64.29 143.91 98.42 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.483 -0.761 . . . . 10.0 111.483 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.56 -39.64 0.71 Allowed 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 121.485 1.457 . . . . 10.0 113.941 -171.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -52.7 -38.28 60.4 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 116.14 1.904 . . . . 10.0 116.14 -168.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.7 p -66.51 -31.04 71.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.212 0.915 . . . . 10.0 113.112 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.434 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.399 20.7 ttt -95.58 -16.02 22.41 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.753 1.02 . . . . 10.0 113.753 170.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -62.72 -37.26 85.83 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.257 -1.527 . . . . 10.0 107.058 166.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -36.83 85.35 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.389 1.476 . . . . 10.0 112.088 168.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.5 mm? -57.73 -50.51 72.98 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.862 1.665 . . . . 10.0 109.963 169.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.81 -41.2 92.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.464 -0.495 . . . . 10.0 110.459 -170.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.29 -47.18 86.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.481 2.713 . . . . 10.0 113.425 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -35.97 32.58 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.143 -0.973 . . . . 10.0 113.046 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -30.1 69.97 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.632 1.573 . . . . 10.0 109.943 169.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.32 -39.95 67.82 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.807 -1.183 . . . . 10.0 111.475 168.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.01 -40.17 96.97 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.751 0.705 . . . . 10.0 112.023 172.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.51 -57.93 3.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 124.973 1.309 . . . . 10.0 108.237 169.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -37.9 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.026 0.53 . . . . 10.0 112.027 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.85 55.08 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.911 -1.118 . . . . 10.0 112.489 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.602 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.298 2.1 t60 -72.07 -20.48 61.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.743 1.217 . . . . 10.0 110.389 169.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.86 -44.2 33.14 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 120.228 -1.545 . . . . 10.0 109.7 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.98 -39.76 90.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.374 1.443 . . . . 10.0 110.938 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -63.7 -26.5 68.69 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.422 -0.799 . . . . 10.0 110.32 168.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.5 tp -72.3 -50.12 29.41 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.777 -1.106 . . . . 10.0 112.707 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -59.18 -39.24 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 121.288 1.858 . . . . 10.0 110.459 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.9 m -64.87 -41.79 95.37 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 116.495 -1.717 . . . . 10.0 108.88 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.64 79.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 122.053 2.206 . . . . 10.0 112.084 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -42.99 99.83 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.033 0.833 . . . . 10.0 110.142 169.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.576 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -67.75 -35.13 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.485 1.914 . . . . 10.0 113.225 178.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.9 mmpt? -70.58 -39.0 74.14 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.625 1.57 . . . . 10.0 109.153 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.361 0.3 OUTLIER -66.65 -36.72 83.24 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 118.938 -0.553 . . . . 10.0 111.528 171.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 119.852 -1.78 . . . . 10.0 112.554 172.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.09 -25.24 62.52 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.521 1.128 . . . . 10.0 112.358 169.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -78.03 -33.88 50.85 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.804 -1.185 . . . . 10.0 112.07 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.06 -38.75 86.36 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.456 -1.402 . . . . 10.0 110.035 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HE3' HG13 ' A' ' 67' ' ' VAL . 10.9 tptt -60.37 -22.05 62.84 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.453 1.101 . . . . 10.0 112.265 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -81.56 -46.42 14.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.339 3.8 p -64.89 -19.76 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.078 -1.014 . . . . 10.0 111.366 169.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.64 -49.37 73.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.51 1.524 . . . . 10.0 111.538 167.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.9 m -87.26 -38.2 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.431 1.492 . . . . 10.0 113.915 -169.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -152.26 78.5 6.43 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.486 0.714 . . . . 10.0 110.814 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.269 5.3 Cg_endo -60.83 56.46 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.989 1 C-N-CA 126.927 5.085 . . . . 10.0 117.268 -176.534 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -75.12 148.3 39.8 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.43 -1.419 . . . . 10.0 108.708 167.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 32.2 t70 -55.75 -29.46 59.59 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.43 0.692 . . . . 10.0 112.741 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.42 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.128 0 CA-C-O 116.326 -1.797 . . . . 10.0 114.977 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -68.9 -24.17 64.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 122.555 2.434 . . . . 10.0 109.508 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.8 mttt -79.12 -41.52 28.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.136 1.374 . . . . 10.0 111.05 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.7 m -66.6 -33.31 75.37 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.486 -1.384 . . . . 10.0 114.563 171.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.6 m -64.77 -29.8 70.79 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 129.496 3.118 . . . . 10.0 108.826 169.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.29 -51.71 58.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.464 -1.294 . . . . 10.0 109.915 167.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -58.22 -26.43 62.83 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.622 1.169 . . . . 10.0 113.704 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -74.36 -45.84 44.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.03 2.532 . . . . 10.0 113.731 170.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.91 -39.61 83.54 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.969 -1.082 . . . . 10.0 111.419 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -62.16 -31.04 71.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.423 2.689 . . . . 10.0 112.047 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.69 -35.43 72.8 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.3 -0.857 . . . . 10.0 111.615 169.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.84 72.56 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 120.332 1.424 . . . . 10.0 110.334 168.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.86 -38.0 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 120.885 1.675 . . . . 10.0 110.214 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -69.14 -39.36 78.9 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.166 1.348 . . . . 10.0 113.983 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -54.42 -55.16 31.55 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.081 1.352 . . . . 10.0 110.405 169.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.51 -43.35 99.02 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 129.148 2.979 . . . . 10.0 111.028 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.54 -42.5 71.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 10.0 111.106 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -57.54 -49.6 75.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.769 0.827 . . . . 10.0 110.034 172.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -53.5 -60.51 3.21 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 116.51 -1.71 . . . . 10.0 108.905 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -63.15 -29.18 70.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 121.463 1.938 . . . . 10.0 114.746 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.12 -50.5 56.87 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 120.949 1.704 . . . . 10.0 111.051 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -36.49 81.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.012 0.906 . . . . 10.0 113.126 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.7 tp -70.1 -52.35 24.45 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 130.446 3.498 . . . . 10.0 110.48 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.0 mttt -61.96 -30.26 70.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.232 1.013 . . . . 10.0 110.707 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.32 64.07 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.907 1.283 . . . . 10.0 113.171 169.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -58.99 -44.32 91.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 120.217 1.371 . . . . 10.0 107.856 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.15 -51.51 69.71 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 117.277 -1.344 . . . . 10.0 112.648 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.54 -24.52 56.55 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 121.443 1.929 . . . . 10.0 114.085 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.8 -45.09 17.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.323 1.049 . . . . 10.0 113.589 168.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.66 -53.48 54.21 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.833 2.453 . . . . 10.0 112.523 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.422 HG22 HD11 ' A' ' 37' ' ' LEU . 41.7 t -66.32 -45.66 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.075 2.15 . . . . 10.0 107.885 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.94 2.15 0.78 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.713 2.005 . . . . 10.0 115.199 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.76 -22.57 5.76 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.106 2.163 . . . . 10.0 113.126 173.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.68 -24.32 56.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.052 1.341 . . . . 10.0 111.682 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -79.65 -9.86 59.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 129.475 3.11 . . . . 10.0 115.179 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.127 1.371 . . . . 10.0 113.207 -168.627 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 111.351 0.13 . . . . 10.0 111.351 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -139.91 161.28 37.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.213 1.405 . . . . 10.0 111.344 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -63.93 130.42 44.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.934 0.894 . . . . 10.0 111.72 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -146.24 9.88 1.11 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.569 1.147 . . . . 10.0 114.012 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -67.25 163.75 19.79 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.773 1.229 . . . . 10.0 113.223 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -150.0 165.61 32.18 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.49 1.516 . . . . 10.0 110.802 172.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -148.7 157.75 43.67 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 10.0 112.039 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.37 178.4 48.69 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.947 1.26 . . . . 10.0 113.183 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -141.31 148.84 52.68 Favored Pre-proline 0 N--CA 1.48 1.057 0 C-N-CA 125.634 1.574 . . . . 10.0 111.645 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.12 -15.44 16.27 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.381 2.721 . . . . 10.0 113.627 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.7 159.46 71.31 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 127.183 2.193 . . . . 10.0 110.33 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.08 142.5 8.37 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.011 3.808 . . . . 10.0 114.613 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -56.56 137.07 77.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.191 0.997 . . . . 10.0 113.536 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -47.59 -22.25 2.79 Favored 'Trans proline' 0 C--N 1.354 0.841 1 C-N-CA 125.523 4.149 . . . . 10.0 117.607 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.75 -22.41 1.39 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.748 1.619 . . . . 10.0 114.971 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.59 -14.17 48.96 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.048 1.499 . . . . 10.0 115.048 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.06 21.65 0.98 Allowed Glycine 0 CA--C 1.537 1.437 0 N-CA-C 115.83 1.092 . . . . 10.0 115.83 -172.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.89 168.82 10.94 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.635 1.217 . . . . 10.0 112.509 170.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.46 161.89 6.94 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.664 1.186 . . . . 10.0 113.706 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -148.95 168.78 22.17 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.518 1.127 . . . . 10.0 113.642 -172.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 p -140.9 173.89 11.04 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.185 2.194 . . . . 10.0 110.547 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -140.71 155.32 46.5 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.249 1.02 . . . . 10.0 112.754 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -158.79 175.28 13.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.911 1.684 . . . . 10.0 112.34 -174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.32 151.92 26.44 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.679 1.191 . . . . 10.0 111.566 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -133.27 158.55 42.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.984 1.313 . . . . 10.0 113.02 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -61.4 144.29 54.33 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.289 1.435 . . . . 10.0 113.621 -173.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -164.13 174.33 11.39 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.409 1.884 . . . . 10.0 110.935 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.1 166.19 35.05 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.379 0.99 . . . . 10.0 113.246 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.72 -31.16 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.268 1.027 . . . . 10.0 113.766 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -149.54 149.82 29.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.066 1.746 . . . . 10.0 110.801 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.65 148.38 47.08 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.27 2.647 . . . . 10.0 111.951 171.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -67.02 -9.87 43.63 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -54.76 -32.93 60.63 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.178 -0.951 . . . . 10.0 113.489 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.392 28.4 ttt -82.03 -14.27 56.16 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.633 1.346 . . . . 10.0 114.633 175.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -68.4 -38.52 81.37 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.875 -1.766 . . . . 10.0 107.283 167.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -34.54 78.5 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.972 1.309 . . . . 10.0 112.283 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.7 mm? -57.16 -50.21 73.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 121.094 1.77 . . . . 10.0 109.941 169.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.89 -34.19 77.56 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 121.178 0.513 . . . . 10.0 111.318 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -68.8 -46.68 68.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.347 2.659 . . . . 10.0 113.398 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.87 -37.51 29.71 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.948 -1.095 . . . . 10.0 113.604 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -25.14 67.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.321 1.449 . . . . 10.0 110.801 171.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.84 -41.46 26.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.285 1.434 . . . . 10.0 111.604 169.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.57 -40.11 82.19 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.836 0.854 . . . . 10.0 111.874 171.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.89 -57.86 2.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 125.209 1.403 . . . . 10.0 108.413 169.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 m -66.21 -40.52 90.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.434 1.094 . . . . 10.0 112.31 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -36.57 58.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.053 -1.03 . . . . 10.0 112.414 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.304 2.1 t60 -72.63 -19.97 61.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.862 1.265 . . . . 10.0 110.716 169.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.11 -43.02 30.13 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 120.192 -1.567 . . . . 10.0 109.931 168.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.74 -39.84 91.54 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.927 1.24 . . . . 10.0 110.996 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.11 -23.74 67.43 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.131 -0.981 . . . . 10.0 110.449 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.8 tp -77.56 -42.27 35.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 117.681 -1.152 . . . . 10.0 113.628 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.9 m -61.06 -43.0 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 120.773 1.624 . . . . 10.0 110.381 170.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.5 m -65.37 -40.05 93.04 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 116.443 -1.741 . . . . 10.0 108.278 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.39 78.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.904 2.138 . . . . 10.0 111.698 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 2.0 mmm180 -62.06 -42.85 99.62 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.709 0.766 . . . . 10.0 110.727 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -69.39 -34.95 75.27 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.831 2.052 . . . . 10.0 113.348 179.179 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.5 mmpt? -70.74 -38.5 73.55 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.94 1.696 . . . . 10.0 109.14 172.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.2 OUTLIER -67.23 -36.84 82.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.016 -0.516 . . . . 10.0 111.484 172.373 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 119.902 -1.749 . . . . 10.0 112.782 171.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.23 -24.69 62.24 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.602 1.161 . . . . 10.0 112.411 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.06 49.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.628 -1.295 . . . . 10.0 111.843 169.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.24 -38.75 85.69 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.547 -1.345 . . . . 10.0 109.88 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE3' HG13 ' A' ' 67' ' ' VAL . 13.3 tptt -60.18 -23.51 64.02 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 124.269 1.028 . . . . 10.0 112.006 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.7 -44.16 19.18 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.94 1.459 . . . . 10.0 114.94 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 3.7 p -66.63 -19.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.02 -1.05 . . . . 10.0 111.45 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.77 -49.33 73.41 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.417 -1.427 . . . . 10.0 111.055 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 64' ' ' ALA . 19.7 m -87.04 -37.78 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.406 . . . . 10.0 113.677 -169.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.71 75.96 7.56 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 123.652 0.781 . . . . 10.0 111.694 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.266 7.1 Cg_endo -61.5 51.15 0.1 OUTLIER 'Trans proline' 0 CA--C 1.545 1.06 1 C-N-CA 126.947 5.098 . . . . 10.0 117.851 -176.076 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 73.7 m-20 -73.48 149.56 42.24 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 120.18 -1.575 . . . . 10.0 108.21 167.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 79.6 m-20 -57.22 -23.2 46.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -174.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.65 -42.77 93.47 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 CA-C-O 116.272 -1.823 . . . . 10.0 114.383 169.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -69.51 -23.98 63.69 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 122.741 2.519 . . . . 10.0 109.953 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.8 mttt -77.56 -41.47 38.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.319 1.448 . . . . 10.0 111.304 170.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -33.0 74.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.417 -1.427 . . . . 10.0 114.218 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.5 m -64.93 -31.02 72.06 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 129.52 3.128 . . . . 10.0 108.349 168.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -66.57 -52.01 50.12 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.802 -1.159 . . . . 10.0 109.756 167.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.76 -24.8 52.57 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.892 1.277 . . . . 10.0 114.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.75 -45.56 20.85 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 129.385 3.074 . . . . 10.0 113.83 171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -67.17 -38.51 85.57 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 120.834 -1.166 . . . . 10.0 111.244 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.94 -31.92 73.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.288 2.635 . . . . 10.0 111.809 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 -34.88 72.59 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.169 -0.919 . . . . 10.0 111.667 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.51 70.91 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 120.47 1.486 . . . . 10.0 110.399 169.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.23 -37.64 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.875 1.671 . . . . 10.0 110.23 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -69.11 -39.53 78.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.995 1.271 . . . . 10.0 114.074 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -53.94 -55.07 30.39 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.354 1.462 . . . . 10.0 110.348 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.59 -44.25 96.79 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 129.424 3.09 . . . . 10.0 111.145 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -43.54 73.26 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.771 1.628 . . . . 10.0 110.802 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.7 m -58.33 -48.02 81.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.992 0.917 . . . . 10.0 110.27 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -54.41 -60.42 3.37 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 116.779 -1.581 . . . . 10.0 108.83 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.7 mm? -61.63 -29.13 69.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 121.469 1.94 . . . . 10.0 114.636 -172.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.03 -50.17 53.72 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 121.022 1.737 . . . . 10.0 111.322 169.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -31.87 73.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.671 1.235 . . . . 10.0 113.728 175.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -75.32 -52.88 9.76 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 130.508 3.523 . . . . 10.0 109.983 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.1 mttt -62.03 -30.42 70.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.436 1.095 . . . . 10.0 110.613 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -36.64 62.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.118 1.367 . . . . 10.0 113.248 169.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.24 -45.42 79.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 120.374 1.443 . . . . 10.0 107.593 169.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.24 -52.57 64.78 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 117.493 -1.241 . . . . 10.0 112.696 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.06 -24.62 55.19 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 121.386 1.903 . . . . 10.0 114.471 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.66 -45.79 16.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.603 1.161 . . . . 10.0 113.803 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.77 -53.14 56.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.64 2.776 . . . . 10.0 112.557 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.02 -43.94 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 126.514 1.925 . . . . 10.0 107.788 -169.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.38 6.79 0.39 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.983 2.113 . . . . 10.0 115.21 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.21 -23.04 3.94 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.482 2.313 . . . . 10.0 113.045 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -27.41 61.98 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.02 1.328 . . . . 10.0 111.633 169.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -71.29 -19.95 62.27 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 129.074 2.949 . . . . 10.0 114.906 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.103 1.761 . . . . 10.0 113.35 -169.597 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -137.5 173.03 12.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.816 1.646 . . . . 10.0 111.055 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -145.8 143.96 30.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.11 0.964 . . . . 10.0 112.463 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -149.44 1.69 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -69.17 -16.59 63.67 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.885 1.439 . . . . 10.0 114.885 -169.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -68.51 85.79 0.29 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.951 1.7 . . . . 10.0 112.066 173.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -147.67 164.3 33.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.396 1.879 . . . . 10.0 110.438 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.27 31.6 0.28 Allowed Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -136.48 149.61 68.02 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 125.538 1.535 . . . . 10.0 111.686 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.02 167.87 26.22 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.368 2.712 . . . . 10.0 112.132 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.49 136.59 11.3 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.561 1.145 . . . . 10.0 111.45 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.5 177.72 8.41 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.335 3.357 . . . . 10.0 112.72 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -135.72 133.2 19.93 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.985 1.314 . . . . 10.0 110.089 171.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.45 155.42 32.1 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.068 2.512 . . . . 10.0 112.693 -176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.4 mt -144.28 146.05 32.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.132 1.773 . . . . 10.0 110.189 173.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.8 tp -159.45 -42.07 0.05 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.789 1.236 . . . . 10.0 112.52 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.5 175.93 48.26 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.272 0.939 . . . . 10.0 113.238 -170.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -151.19 143.0 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.199 1.4 . . . . 10.0 110.568 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -148.39 154.17 39.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.137 1.375 . . . . 10.0 111.235 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.0 p -145.76 8.7 1.14 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.845 2.058 . . . . 10.0 112.959 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -66.01 97.93 0.4 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.842 1.657 . . . . 10.0 112.342 -175.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -150.87 102.14 2.96 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.189 1.396 . . . . 10.0 110.375 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -154.29 142.27 20.2 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.974 1.31 . . . . 10.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.1 mt -140.0 -81.73 0.27 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.325 1.45 . . . . 10.0 109.891 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 34.33 56.52 0.66 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.819 2.448 . . . . 10.0 115.494 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -142.06 175.03 10.05 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.822 1.249 . . . . 10.0 112.846 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -74.05 38.98 0.11 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.841 2.056 . . . . 10.0 114.179 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.61 28.39 1.28 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 126.087 1.803 . . . . 10.0 116.137 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.2 tp -151.65 142.1 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.114 1.766 . . . . 10.0 110.636 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -71.0 145.27 91.33 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.727 0.811 . . . . 10.0 112.246 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.97 -8.1 16.55 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.328 2.686 . . . . 10.0 114.527 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.08 -37.7 54.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.472 1.509 . . . . 10.0 114.962 -169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 p -61.03 -32.28 71.89 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.461 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.386 66.3 ttp -93.84 -13.53 27.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 171.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -65.73 -39.12 90.81 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 119.972 -1.705 . . . . 10.0 107.016 166.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -37.61 86.39 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.504 1.522 . . . . 10.0 112.335 169.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.1 mm? -56.4 -50.44 71.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.575 1.534 . . . . 10.0 110.076 170.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.22 -36.45 83.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.911 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -48.07 74.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.008 2.123 . . . . 10.0 112.836 169.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.4 -35.74 34.83 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 119.476 1.034 . . . . 10.0 112.775 -171.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.36 -26.99 67.53 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.669 1.588 . . . . 10.0 110.756 170.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -79.24 -36.66 39.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.435 1.094 . . . . 10.0 111.416 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.17 -42.57 98.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.771 1.228 . . . . 10.0 111.232 173.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -49.91 -55.52 5.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 C-N-CA 126.04 1.736 . . . . 10.0 108.522 169.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -67.53 -39.55 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.906 1.282 . . . . 10.0 112.647 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.37 59.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 10.0 112.363 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.609 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.3 2.0 t60 -75.41 -22.7 57.21 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.345 1.458 . . . . 10.0 111.119 171.266 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -74.46 -40.03 62.14 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.114 -1.616 . . . . 10.0 109.17 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -35.96 65.78 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.281 -0.887 . . . . 10.0 111.045 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.93 -24.52 66.84 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 167.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 87' ' ' LEU . 23.6 tp -74.69 -47.47 31.47 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.635 -1.174 . . . . 10.0 113.257 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.53 -39.71 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 121.429 1.922 . . . . 10.0 109.956 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.8 m -67.0 -41.45 86.69 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 116.215 -1.85 . . . . 10.0 109.411 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.25 78.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 122.296 2.316 . . . . 10.0 111.721 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.824 0.738 . . . . 10.0 110.191 169.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.575 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.68 -38.35 89.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.443 1.897 . . . . 10.0 113.016 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.8 mmpt? -69.02 -39.87 78.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.584 1.954 . . . . 10.0 109.472 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.99 -34.3 77.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 118.697 -0.668 . . . . 10.0 111.375 171.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 2.3 ttpt -66.16 -32.75 74.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 119.981 -1.699 . . . . 10.0 112.907 170.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.19 -23.74 64.88 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.232 0.924 . . . . 10.0 111.758 169.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.91 37.36 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.611 -1.306 . . . . 10.0 112.175 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.87 -37.66 84.85 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.421 -1.424 . . . . 10.0 110.082 169.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.7 tptt -57.21 -38.05 73.13 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.294 1.037 . . . . 10.0 110.415 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.81 -38.34 76.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.197 0.814 . . . . 10.0 113.197 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.319 4.1 p -77.21 -21.75 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 118.869 0.759 . . . . 10.0 112.534 169.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.44 -37.96 89.35 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.051 -1.655 . . . . 10.0 111.607 168.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -110.61 -24.73 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 117.44 2.385 . . . . 10.0 117.44 -166.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -151.36 72.17 8.37 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.251 0.621 . . . . 10.0 112.152 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.281 5.0 Cg_endo -59.0 50.51 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.173 1 C-N-CA 127.641 5.56 . . . . 10.0 119.036 -173.475 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 77.2 m-20 -73.6 149.79 41.85 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 119.96 -1.713 . . . . 10.0 108.769 167.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.0 m-20 -57.85 -23.25 51.99 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -174.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.67 -40.5 86.31 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 CA-C-O 116.153 -1.879 . . . . 10.0 114.35 169.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -70.15 -25.46 63.48 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 122.804 2.547 . . . . 10.0 110.039 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -75.92 -40.73 53.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.605 1.562 . . . . 10.0 111.218 170.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -69.04 -33.41 73.57 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.987 1.375 . . . . 10.0 114.411 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 m -65.47 -28.86 69.52 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 130.082 3.353 . . . . 10.0 108.978 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.3 -51.55 59.91 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 118.395 -1.322 . . . . 10.0 109.634 167.457 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.47 -26.43 63.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.668 1.187 . . . . 10.0 113.702 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -74.3 -45.5 47.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.99 2.516 . . . . 10.0 113.795 170.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.55 -39.09 81.22 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.86 -1.15 . . . . 10.0 111.457 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -62.62 -29.8 70.88 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.242 2.617 . . . . 10.0 111.679 169.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.46 67.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.078 0.951 . . . . 10.0 111.75 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.63 65.56 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 120.179 1.354 . . . . 10.0 109.596 168.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.1 t -51.91 -38.92 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 121.067 1.758 . . . . 10.0 109.891 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t -68.09 -38.12 81.98 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.31 1.414 . . . . 10.0 113.894 174.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 m -55.77 -55.01 37.38 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.213 1.405 . . . . 10.0 110.641 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.1 mm? -63.3 -42.4 99.04 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.249 3.02 . . . . 10.0 111.228 -175.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.81 -41.99 70.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.364 1.865 . . . . 10.0 110.801 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.7 m -58.2 -48.79 79.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.891 0.876 . . . . 10.0 110.128 171.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -53.9 -60.26 3.56 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-O 117.113 -1.422 . . . . 10.0 109.027 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.6 mm? -63.65 -27.18 69.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 121.609 2.004 . . . . 10.0 114.719 -170.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.03 -49.92 50.37 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 120.659 1.572 . . . . 10.0 110.866 168.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -32.07 73.38 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.23 1.015 . . . . 10.0 113.699 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.1 tp -76.0 -52.48 10.14 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 130.698 3.599 . . . . 10.0 110.307 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HE2' HD12 ' A' ' 91' ' ' LEU . 43.3 mttm -61.35 -29.09 69.69 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.993 0.917 . . . . 10.0 110.502 173.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -37.66 60.43 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.351 1.461 . . . . 10.0 113.268 169.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.26 -44.09 79.39 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.632 1.56 . . . . 10.0 107.867 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.35 -52.64 64.77 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 117.314 -1.327 . . . . 10.0 112.529 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.48 -24.53 46.67 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 121.527 1.967 . . . . 10.0 114.351 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.72 -45.76 16.58 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.57 1.148 . . . . 10.0 113.544 168.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.2 mp -54.43 -53.34 55.4 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.275 2.63 . . . . 10.0 112.645 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.414 HG22 HD11 ' A' ' 37' ' ' LEU . 41.3 t -66.68 -44.16 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 C-N-CA 126.913 2.085 . . . . 10.0 107.779 -169.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 3.33 0.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.033 2.133 . . . . 10.0 115.158 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.96 -23.31 5.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.17 2.188 . . . . 10.0 113.183 171.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.97 -27.06 63.1 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.828 1.251 . . . . 10.0 111.831 169.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -72.22 -23.29 61.22 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 128.58 2.752 . . . . 10.0 114.783 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.254 1.32 0 C-N-CA 126.094 1.758 . . . . 10.0 113.256 -169.518 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -131.44 14.07 5.01 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.937 1.295 . . . . 10.0 113.44 -173.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -132.35 26.97 4.47 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.629 1.572 . . . . 10.0 112.286 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -131.33 105.42 7.62 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.83 1.652 . . . . 10.0 109.731 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -155.5 167.9 28.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.855 1.262 . . . . 10.0 112.619 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -64.41 149.5 48.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.01 1.324 . . . . 10.0 112.292 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -146.97 18.54 1.25 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.501 1.12 . . . . 10.0 113.413 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.56 156.95 48.26 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 120.615 -1.303 . . . . 10.0 112.567 171.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.86 148.63 65.93 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.069 1.348 . . . . 10.0 111.681 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.81 155.12 63.06 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.068 2.512 . . . . 10.0 113.236 -170.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 tp -154.56 143.89 15.12 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 126.019 1.728 . . . . 10.0 109.998 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.31 150.69 14.42 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.549 3.499 . . . . 10.0 114.082 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -61.0 143.51 91.86 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.041 0.937 . . . . 10.0 112.085 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.36 161.33 42.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.326 2.684 . . . . 10.0 112.419 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.34 135.48 21.48 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.182 1.393 . . . . 10.0 110.251 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.4 mt -78.63 173.78 12.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.866 1.266 . . . . 10.0 112.728 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.67 166.23 37.24 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.696 1.141 . . . . 10.0 113.396 174.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 tp -155.94 153.66 29.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.75 1.62 . . . . 10.0 110.773 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -145.39 146.03 31.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.394 1.478 . . . . 10.0 110.768 173.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.7 p -158.55 175.63 13.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.909 1.284 . . . . 10.0 112.873 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.9 p -133.64 161.93 33.32 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.807 1.643 . . . . 10.0 111.704 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.27 126.19 26.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.37 1.068 . . . . 10.0 113.194 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.94 149.99 49.85 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.605 1.162 . . . . 10.0 113.477 174.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.2 mt -138.95 156.85 46.92 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.861 1.664 . . . . 10.0 110.651 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -143.68 166.91 23.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.802 1.241 . . . . 10.0 112.71 -170.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -70.31 178.28 2.94 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.741 1.616 . . . . 10.0 113.756 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -118.04 168.23 10.73 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.801 1.64 . . . . 10.0 111.992 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.31 176.78 47.05 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.676 1.132 . . . . 10.0 115.138 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.41 157.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.114 1.366 . . . . 10.0 112.584 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.96 152.39 50.29 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.45 1.1 . . . . 10.0 113.53 175.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.09 175.87 8.57 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.83 3.02 . . . . 10.0 113.362 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 69.64 4.59 4.77 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.103 2.161 . . . . 10.0 116.239 171.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -58.61 -38.95 79.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.611 -1.306 . . . . 10.0 112.53 172.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.367 64.7 ttp -83.51 -15.6 48.8 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 171.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.06 -38.97 93.0 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.116 -1.615 . . . . 10.0 107.976 167.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.72 -37.87 88.97 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.152 1.381 . . . . 10.0 112.193 169.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.7 mm? -56.62 -49.87 73.68 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 120.712 1.596 . . . . 10.0 110.335 169.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.11 -30.94 71.09 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 120.573 -0.451 . . . . 10.0 111.522 -169.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.19 -45.66 55.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.154 2.181 . . . . 10.0 112.834 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 -35.83 33.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.831 1.196 . . . . 10.0 113.063 -172.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.29 -27.54 67.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.235 1.414 . . . . 10.0 110.545 169.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.42 -38.04 56.17 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.779 1.232 . . . . 10.0 111.052 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.3 -42.96 99.53 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.753 1.221 . . . . 10.0 111.199 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -50.27 -57.35 2.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 125.784 1.633 . . . . 10.0 108.567 169.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -34.35 73.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.192 0.597 . . . . 10.0 112.317 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.74 42.07 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.66 -1.275 . . . . 10.0 112.193 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.597 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.309 2.1 t60 -69.73 -21.69 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.004 1.322 . . . . 10.0 110.921 169.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.58 -43.27 39.51 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 120.137 -1.602 . . . . 10.0 109.876 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.41 -39.12 91.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.284 1.402 . . . . 10.0 111.045 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.85 -24.88 67.92 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.118 -0.989 . . . . 10.0 110.218 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 87' ' ' LEU . 22.4 tp -77.72 -42.75 33.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.667 -1.158 . . . . 10.0 113.52 173.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.3 m -61.08 -41.73 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 120.713 1.597 . . . . 10.0 110.345 170.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -66.73 -38.75 87.32 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 116.197 -1.858 . . . . 10.0 109.305 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.07 78.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.352 1.887 . . . . 10.0 111.226 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -62.4 -47.96 81.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.856 0.753 . . . . 10.0 110.202 169.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -63.1 -29.35 70.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.119 2.167 . . . . 10.0 113.194 176.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.65 -40.31 34.53 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.956 2.102 . . . . 10.0 109.95 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 77' ' ' LEU 0.459 0.0 OUTLIER -68.51 -32.82 73.06 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.298 -0.858 . . . . 10.0 111.273 169.777 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -67.61 -33.59 75.3 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.217 -2.177 . . . . 10.0 113.64 169.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -24.1 61.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.354 1.062 . . . . 10.0 112.239 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.06 -30.64 39.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.457 -1.402 . . . . 10.0 111.415 168.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -67.5 -38.19 83.95 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.265 -1.522 . . . . 10.0 109.507 169.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.1 tptt -56.8 -36.63 70.12 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 123.611 0.764 . . . . 10.0 110.44 169.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -70.35 -40.02 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.316 3.5 p -75.63 -21.68 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 121.479 -0.763 . . . . 10.0 112.515 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.67 -39.24 93.32 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.009 -1.682 . . . . 10.0 111.634 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -108.71 -24.66 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 117.398 2.37 . . . . 10.0 117.398 -166.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -151.35 72.1 8.37 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.36 0.664 . . . . 10.0 112.206 169.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.276 4.5 Cg_endo -59.43 54.22 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.049 1 C-N-CA 127.421 5.414 . . . . 10.0 119.027 -173.169 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -75.33 151.73 38.22 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 119.866 -1.771 . . . . 10.0 108.62 167.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -52.04 -33.07 37.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.943 1.297 . . . . 10.0 114.333 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.93 -38.79 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 CA-C-O 115.894 -2.003 . . . . 10.0 113.997 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.09 -24.19 64.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 122.662 2.483 . . . . 10.0 109.955 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 13.0 mttt -79.18 -38.1 36.7 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.156 1.383 . . . . 10.0 111.259 171.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.3 m -71.22 -35.44 71.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.9 1.333 . . . . 10.0 114.196 172.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m -62.76 -28.9 70.29 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 130.032 3.333 . . . . 10.0 108.688 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD11 HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -64.55 -53.41 48.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 118.723 -1.191 . . . . 10.0 110.557 167.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.01 -27.22 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.075 1.35 . . . . 10.0 113.122 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.86 -45.46 61.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.8 2.44 . . . . 10.0 113.417 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.7 -40.7 79.91 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.571 1.177 . . . . 10.0 111.842 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -64.23 -28.62 69.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.304 2.641 . . . . 10.0 111.792 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.86 64.71 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 10.0 111.447 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.12 74.75 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 120.012 1.278 . . . . 10.0 109.13 168.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG21 HD12 ' A' ' 58' ' ' LEU . 43.3 t -51.21 -39.62 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.887 1.676 . . . . 10.0 110.661 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -68.45 -38.23 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.995 1.271 . . . . 10.0 114.011 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -55.08 -55.1 34.78 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.324 1.45 . . . . 10.0 110.489 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.66 -43.63 98.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 129.448 3.099 . . . . 10.0 111.247 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.22 -43.11 71.32 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.832 1.653 . . . . 10.0 110.832 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.6 m -57.79 -49.46 76.54 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.735 0.814 . . . . 10.0 110.091 172.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -53.17 -60.45 3.28 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 116.566 -1.683 . . . . 10.0 108.95 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.99 -30.06 71.3 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 121.397 1.908 . . . . 10.0 114.721 -171.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.29 -50.48 59.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 120.955 1.707 . . . . 10.0 111.149 169.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.48 80.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 117.957 0.878 . . . . 10.0 113.209 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.0 tp -70.74 -52.31 21.65 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.529 3.531 . . . . 10.0 110.154 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' LEU . 71.6 mttt -61.28 -30.26 70.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.405 1.082 . . . . 10.0 110.601 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -35.09 61.65 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.35 1.46 . . . . 10.0 113.782 169.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.77 -43.49 90.41 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 120.323 1.419 . . . . 10.0 107.463 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.75 -51.9 68.01 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 117.366 -1.302 . . . . 10.0 112.733 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.08 58.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 121.368 1.895 . . . . 10.0 114.165 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.62 -43.99 19.6 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.414 1.086 . . . . 10.0 113.7 169.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -53.2 59.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.002 2.521 . . . . 10.0 112.752 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.52 -44.37 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 126.937 2.095 . . . . 10.0 108.137 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.77 1.83 0.57 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.466 2.306 . . . . 10.0 115.247 171.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -123.05 -23.05 5.04 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.386 2.274 . . . . 10.0 113.171 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -28.53 64.24 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.91 1.284 . . . . 10.0 111.613 169.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -69.22 -22.97 63.83 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 128.588 2.755 . . . . 10.0 114.77 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.298 1.839 . . . . 10.0 113.32 -169.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 119.043 -0.503 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -151.05 122.28 7.78 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.249 1.419 . . . . 10.0 109.913 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -138.21 -9.96 1.49 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.357 1.243 . . . . 10.0 114.357 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -157.13 162.6 39.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 10.0 110.419 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -66.49 -12.46 57.56 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.611 1.338 . . . . 10.0 114.611 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -149.67 174.3 12.73 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.496 1.918 . . . . 10.0 110.61 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.87 154.03 10.01 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.312 1.045 . . . . 10.0 112.581 170.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.02 177.7 42.65 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.069 1.319 . . . . 10.0 113.084 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -59.6 141.23 88.65 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 124.313 1.045 . . . . 10.0 112.954 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -83.02 -0.54 10.06 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 124.047 3.165 . . . . 10.0 114.466 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.3 pt -58.95 152.09 51.73 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.468 1.507 . . . . 10.0 114.03 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.97 177.61 8.59 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 124.421 3.414 . . . . 10.0 112.92 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.61 157.29 44.74 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 125.685 1.594 . . . . 10.0 110.677 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.44 38.12 0.71 Allowed 'Trans proline' 0 CA--C 1.551 1.325 0 C-N-CA 124.879 3.719 . . . . 10.0 113.985 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.59 152.74 25.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.123 1.369 . . . . 10.0 113.08 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.41 173.63 13.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.029 1.732 . . . . 10.0 111.443 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.17 76.97 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 123.373 0.511 . . . . 10.0 113.829 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.08 16.9 11.63 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.284 1.834 . . . . 10.0 113.294 -173.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.65 23.19 6.8 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.668 1.987 . . . . 10.0 111.709 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -147.25 170.72 16.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.599 1.96 . . . . 10.0 111.507 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -64.2 145.34 56.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.388 1.075 . . . . 10.0 113.527 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.42 142.98 19.63 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.139 1.776 . . . . 10.0 109.922 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -137.96 -3.33 1.82 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.052 1.341 . . . . 10.0 114.397 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.1 mt -128.13 15.5 6.75 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.982 1.713 . . . . 10.0 113.045 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 p90 52.64 3.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 119.236 3.05 . . . . 10.0 119.236 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.94 10.98 3.94 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.099 1.359 . . . . 10.0 113.76 172.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.42 -20.99 61.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.374 1.07 . . . . 10.0 112.555 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.25 114.31 2.35 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.591 1.567 . . . . 10.0 111.873 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 pt -146.68 173.38 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 126.256 1.822 . . . . 10.0 111.97 -172.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -53.28 156.64 3.83 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.96 1.704 . . . . 10.0 113.555 170.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -67.54 145.36 70.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.484 2.122 . . . . 10.0 111.988 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -58.34 -29.49 65.98 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.685 1.365 . . . . 10.0 114.685 -170.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -59.22 -32.47 69.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.741 0.816 . . . . 10.0 113.126 172.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.381 59.8 ttp -95.73 -15.98 22.26 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 171.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 m -63.89 -36.88 85.38 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.319 -1.488 . . . . 10.0 107.227 166.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.75 -35.92 82.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.839 1.656 . . . . 10.0 111.888 168.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.8 mm? -58.24 -50.87 72.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.69 1.586 . . . . 10.0 109.801 169.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.54 -37.86 89.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.228 -0.589 . . . . 10.0 110.974 -171.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.46 -47.35 82.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 128.335 2.654 . . . . 10.0 114.323 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -36.14 31.94 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 124.14 0.976 . . . . 10.0 113.132 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -28.34 68.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.461 1.504 . . . . 10.0 110.132 169.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.82 -39.41 56.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.658 1.183 . . . . 10.0 111.055 168.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -39.47 90.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.671 0.789 . . . . 10.0 111.701 173.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 HD13 ' HG3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -52.58 -58.54 2.51 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 C-N-CA 125.615 1.566 . . . . 10.0 108.309 169.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -37.92 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.149 0.58 . . . . 10.0 111.921 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.53 -37.39 60.09 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.079 -1.013 . . . . 10.0 112.45 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.629 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.305 2.2 t60 -73.42 -19.75 60.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.508 1.123 . . . . 10.0 110.587 169.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -77.58 -42.83 33.75 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 120.274 -1.516 . . . . 10.0 109.856 168.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.74 -36.87 81.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 120.476 1.489 . . . . 10.0 111.098 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -66.02 -23.45 66.56 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.327 -0.858 . . . . 10.0 109.927 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.7 tp -78.43 -44.58 24.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.328 0.967 . . . . 10.0 113.257 173.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.1 m -60.55 -41.78 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 CA-C-N 120.525 1.511 . . . . 10.0 110.38 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -66.62 -38.35 86.77 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 115.832 -2.033 . . . . 10.0 109.18 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.46 77.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 122.352 2.342 . . . . 10.0 111.617 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 mmt180 -63.18 -43.78 97.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.102 0.864 . . . . 10.0 110.804 169.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.593 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.9 -36.91 83.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.108 2.163 . . . . 10.0 112.795 -179.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -70.43 -39.97 74.08 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.994 2.117 . . . . 10.0 109.534 172.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.367 0.3 OUTLIER -65.2 -36.9 85.62 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.511 0.596 . . . . 10.0 111.243 172.315 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -65.7 -33.32 75.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 119.952 -1.718 . . . . 10.0 112.865 170.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.13 -23.33 65.8 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 119.339 0.972 . . . . 10.0 112.282 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.09 -33.52 38.72 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.759 -1.213 . . . . 10.0 112.016 169.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.9 -39.09 90.29 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.465 -1.397 . . . . 10.0 110.135 169.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE3' HG13 ' A' ' 67' ' ' VAL . 12.2 tptt -60.51 -23.36 64.48 Favored 'General case' 0 C--O 1.22 -0.5 0 C-N-CA 125.025 1.33 . . . . 10.0 112.226 170.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 67' ' ' VAL . . . -80.81 -45.64 16.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.803 1.408 . . . . 10.0 114.803 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.343 3.6 p -65.44 -19.4 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 121.236 -0.915 . . . . 10.0 111.51 169.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.47 -49.58 70.86 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.47 -1.394 . . . . 10.0 111.289 167.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 64' ' ' ALA . 18.7 m -85.83 -38.72 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.254 1.422 . . . . 10.0 113.958 -169.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -152.15 79.46 6.22 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.354 0.662 . . . . 10.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.274 5.1 Cg_endo -60.19 54.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.545 1.036 1 C-N-CA 127.118 5.212 . . . . 10.0 117.382 -177.281 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 72.9 m-20 -73.64 147.38 43.79 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 120.36 -1.463 . . . . 10.0 108.456 167.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -56.93 -27.09 60.58 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.03 -41.03 91.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 CA-C-O 116.321 -1.799 . . . . 10.0 114.801 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.86 -24.33 64.33 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.601 2.455 . . . . 10.0 109.606 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.2 mttt -78.23 -42.59 30.81 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.395 1.478 . . . . 10.0 111.196 170.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -65.45 -33.31 75.64 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.392 -1.442 . . . . 10.0 114.503 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.7 m -65.25 -29.33 70.1 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 129.687 3.195 . . . . 10.0 108.945 169.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.93 -51.45 58.46 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 118.601 -1.24 . . . . 10.0 109.762 167.37 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.31 -26.65 63.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.602 1.161 . . . . 10.0 113.658 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.9 -46.05 46.93 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.899 2.48 . . . . 10.0 113.504 170.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -67.87 -37.95 82.46 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.931 -1.106 . . . . 10.0 111.462 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -63.35 -32.51 73.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.434 2.694 . . . . 10.0 111.978 169.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.15 69.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.146 0.978 . . . . 10.0 111.754 169.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.07 63.44 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 119.927 1.24 . . . . 10.0 109.81 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -51.38 -38.91 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 121.201 1.819 . . . . 10.0 110.285 173.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -38.22 80.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.964 1.257 . . . . 10.0 114.036 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -55.77 -55.58 30.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.442 1.497 . . . . 10.0 110.499 169.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -61.88 -43.32 99.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 129.526 3.13 . . . . 10.0 111.119 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -70.19 -43.8 70.01 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.893 1.677 . . . . 10.0 110.943 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.4 m -57.37 -48.64 78.51 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.649 0.78 . . . . 10.0 110.166 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -54.0 -60.42 3.35 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.575 -1.678 . . . . 10.0 109.197 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.6 mm? -62.24 -29.16 70.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 121.661 2.028 . . . . 10.0 114.614 -171.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.19 51.17 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 120.715 1.598 . . . . 10.0 111.169 169.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -33.17 74.06 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.621 1.211 . . . . 10.0 113.601 175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.39 -52.58 13.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 129.979 3.312 . . . . 10.0 109.995 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HD12 ' A' ' 91' ' ' LEU . 72.4 mttt -61.51 -30.0 70.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.272 1.029 . . . . 10.0 110.545 174.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.79 59.1 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.578 1.551 . . . . 10.0 114.044 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -60.5 -44.63 95.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 120.491 1.496 . . . . 10.0 107.116 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.34 -50.89 71.5 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 117.304 -1.331 . . . . 10.0 112.19 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.98 54.13 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.396 1.907 . . . . 10.0 114.439 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.77 -45.84 16.36 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.686 1.13 . . . . 10.0 113.373 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.7 -53.64 52.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.305 2.642 . . . . 10.0 112.546 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.02 -40.68 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.856 2.062 . . . . 10.0 108.027 -169.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.4 10.45 0.34 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 115.209 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.12 -31.61 2.34 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.473 2.309 . . . . 10.0 111.754 169.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -38.0 68.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.479 1.511 . . . . 10.0 110.552 168.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -76.27 -11.31 59.89 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.923 2.089 . . . . 10.0 115.628 -174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.795 1.638 . . . . 10.0 112.667 -173.096 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 118.626 -0.702 . . . . 10.0 110.285 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 166.84 27.74 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.702 1.601 . . . . 10.0 111.461 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 m80 51.49 37.25 18.93 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.419 1.488 . . . . 10.0 114.157 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.98 156.2 12.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.647 1.579 . . . . 10.0 113.815 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.46 164.05 28.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.098 1.759 . . . . 10.0 110.735 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -135.71 6.57 3.21 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.235 1.198 . . . . 10.0 114.235 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 150.15 40.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.511 1.124 . . . . 10.0 113.019 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.18 173.57 44.54 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.332 0.968 . . . . 10.0 113.783 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.0 153.06 56.54 Favored Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 126.637 1.975 . . . . 10.0 111.093 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.92 157.28 62.3 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.882 2.388 . . . . 10.0 112.204 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -136.88 159.08 71.58 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 125.51 1.524 . . . . 10.0 112.245 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.2 160.25 3.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 125.288 3.992 . . . . 10.0 116.032 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -143.57 123.88 7.79 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.84 1.656 . . . . 10.0 109.427 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.22 45.14 1.48 Allowed 'Trans proline' 0 CA--C 1.55 1.324 0 C-N-CA 125.238 3.959 . . . . 10.0 113.865 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.8 -26.89 67.62 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.828 1.651 . . . . 10.0 113.408 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.65 165.92 24.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.744 2.018 . . . . 10.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.5 -167.62 31.97 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.716 1.151 . . . . 10.0 113.449 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -36.56 81.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.015 0.926 . . . . 10.0 112.094 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 51.1 20.18 0.81 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.875 2.07 . . . . 10.0 115.41 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -157.89 166.85 31.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.441 1.896 . . . . 10.0 110.79 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.5 p -68.34 141.84 55.66 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.281 1.032 . . . . 10.0 112.371 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.78 4.88 1.73 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.51 1.124 . . . . 10.0 112.996 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -150.83 152.73 34.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.487 1.515 . . . . 10.0 110.62 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.93 175.31 14.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.33 1.452 . . . . 10.0 112.947 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -62.68 168.64 3.61 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.672 1.589 . . . . 10.0 114.163 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -145.11 145.91 31.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.008 1.323 . . . . 10.0 111.261 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -145.61 157.56 43.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.113 1.765 . . . . 10.0 110.569 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.26 28.54 0.34 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.931 0.777 . . . . 10.0 114.845 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.44 169.84 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.923 1.689 . . . . 10.0 112.141 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -145.16 155.34 54.72 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.45 1.9 . . . . 10.0 110.354 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.41 -14.76 43.68 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.038 2.492 . . . . 10.0 114.547 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -59.0 -22.47 60.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.801 1.24 . . . . 10.0 113.996 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 p -57.28 -35.71 70.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.589 0.756 . . . . 10.0 112.225 170.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.507 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.387 27.3 ttt -88.92 -15.11 35.15 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 174.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.4 m -65.76 -39.97 91.59 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 119.975 -1.703 . . . . 10.0 107.41 166.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -62.62 -38.44 90.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.329 1.452 . . . . 10.0 112.401 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.9 mm? -56.46 -49.56 74.29 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.548 1.522 . . . . 10.0 110.598 170.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -67.56 -26.87 66.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.875 -169.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -76.91 -46.62 23.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.644 2.378 . . . . 10.0 112.354 169.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 -36.44 32.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 119.635 1.107 . . . . 10.0 113.426 -172.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -66.66 -27.66 67.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.161 1.384 . . . . 10.0 110.42 170.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.34 -38.41 55.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.762 1.225 . . . . 10.0 111.296 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.98 -44.26 97.62 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.675 1.19 . . . . 10.0 111.095 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.435 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -48.71 -56.68 2.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 C-N-CA 125.908 1.683 . . . . 10.0 108.807 169.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -36.32 73.54 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.932 0.493 . . . . 10.0 112.127 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.78 61.39 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.83 -1.169 . . . . 10.0 112.573 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.424 ' CD2' HD13 ' A' ' 87' ' ' LEU 0.328 2.0 t60 -73.34 -19.28 61.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.412 1.885 . . . . 10.0 111.154 169.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -80.07 -41.45 25.59 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 120.344 -1.472 . . . . 10.0 109.259 168.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.5 -38.03 86.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.592 1.542 . . . . 10.0 111.312 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -66.27 -21.57 66.28 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.122 -0.986 . . . . 10.0 110.16 168.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' A' ' 87' ' ' LEU . 19.9 tp -80.1 -43.47 21.68 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 117.588 -1.196 . . . . 10.0 113.278 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 3.1 m -59.76 -41.25 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 CA-C-N 120.555 1.525 . . . . 10.0 110.131 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.6 m -70.73 -34.91 72.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 115.957 -1.973 . . . . 10.0 110.273 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.33 77.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.572 1.987 . . . . 10.0 110.995 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 mmm180 -63.85 -48.66 75.86 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.159 0.891 . . . . 10.0 110.273 169.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -29.95 70.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.663 1.985 . . . . 10.0 112.333 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -42.16 25.38 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.223 2.209 . . . . 10.0 110.589 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 77' ' ' LEU 0.439 0.0 OUTLIER -65.86 -32.65 74.29 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 118.655 -0.688 . . . . 10.0 110.791 169.891 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -69.73 -34.35 73.72 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 119.684 -1.885 . . . . 10.0 113.445 169.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.83 -24.5 65.28 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.726 1.148 . . . . 10.0 111.71 169.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.75 -31.31 35.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.464 -1.397 . . . . 10.0 112.095 168.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.6 -37.76 85.56 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.107 -1.62 . . . . 10.0 109.704 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.515 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.7 tptt -57.26 -37.47 72.39 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 124.295 1.038 . . . . 10.0 110.341 169.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.49 -39.96 77.31 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.199 0.815 . . . . 10.0 113.199 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.314 3.6 p -75.57 -22.62 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.561 -0.712 . . . . 10.0 112.562 170.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -64.26 -37.92 89.2 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 119.966 -1.709 . . . . 10.0 111.812 168.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.7 p -109.86 -25.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 117.364 2.357 . . . . 10.0 117.364 -166.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -151.53 72.53 8.24 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.406 0.682 . . . . 10.0 112.003 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 4.3 Cg_endo -58.99 53.67 0.06 OUTLIER 'Trans proline' 0 CA--C 1.546 1.1 1 C-N-CA 127.643 5.562 . . . . 10.0 119.193 -173.092 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' ' HE3' ' A' ' 74' ' ' LYS . 75.3 m-20 -74.3 148.66 41.2 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 119.812 -1.805 . . . . 10.0 109.114 167.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 82.0 m-20 -57.49 -24.47 56.05 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.781 0.8 . . . . 10.0 113.058 -174.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.79 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-O 116.158 -1.877 . . . . 10.0 114.113 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -67.79 -26.49 66.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 122.851 2.568 . . . . 10.0 110.034 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 8.5 mttt -78.11 -30.62 49.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.877 1.671 . . . . 10.0 112.392 171.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 m -79.99 -36.13 36.43 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 123.185 1.469 . . . . 10.0 113.929 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.6 m -60.82 -29.15 69.3 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 130.122 3.369 . . . . 10.0 108.03 168.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -62.94 -54.28 40.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.117 -1.033 . . . . 10.0 111.322 168.22 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.66 -26.44 65.53 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.633 1.573 . . . . 10.0 112.6 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -72.56 -45.76 57.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.914 2.486 . . . . 10.0 113.312 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -68.4 -41.14 80.91 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.725 1.25 . . . . 10.0 112.064 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -63.88 -29.63 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 128.314 2.646 . . . . 10.0 111.826 169.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.97 67.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.089 0.956 . . . . 10.0 111.442 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.76 74.54 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 119.875 1.216 . . . . 10.0 109.397 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG21 HD12 ' A' ' 58' ' ' LEU . 43.9 t -51.46 -39.97 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 121.387 1.903 . . . . 10.0 110.783 172.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.5 t -67.11 -38.0 84.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.905 1.229 . . . . 10.0 113.774 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.1 m -56.27 -55.43 33.46 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.269 1.427 . . . . 10.0 110.786 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 129.168 2.987 . . . . 10.0 110.86 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.12 -44.1 69.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.058 1.743 . . . . 10.0 111.061 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -57.66 -48.63 78.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.834 0.853 . . . . 10.0 110.154 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -53.76 -60.31 3.48 Favored 'General case' 0 CA--C 1.493 -1.242 0 CA-C-O 116.911 -1.518 . . . . 10.0 108.967 172.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 95' ' ' LYS . 3.8 mm? -63.11 -27.7 69.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 121.763 2.074 . . . . 10.0 114.847 -171.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.6 -50.73 46.93 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 120.778 1.626 . . . . 10.0 110.979 168.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -33.22 74.31 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.194 0.997 . . . . 10.0 113.587 176.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.8 tp -73.71 -53.26 10.77 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 130.699 3.6 . . . . 10.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.546 ' HE2' HD12 ' A' ' 91' ' ' LEU . 41.1 mttm -61.14 -29.85 70.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.876 0.87 . . . . 10.0 110.527 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -37.38 62.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.087 1.355 . . . . 10.0 113.431 169.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -55.83 -43.66 77.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 120.481 1.491 . . . . 10.0 107.897 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.94 -52.0 67.64 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 117.535 -1.221 . . . . 10.0 112.921 172.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.49 53.65 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 121.162 1.801 . . . . 10.0 114.38 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.68 -44.93 17.99 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.689 1.196 . . . . 10.0 113.529 169.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.16 -53.09 60.41 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.358 2.663 . . . . 10.0 112.802 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.78 -40.13 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.637 1.975 . . . . 10.0 107.855 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 14.99 0.12 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.56 2.344 . . . . 10.0 115.332 171.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.41 -26.82 1.41 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.885 2.474 . . . . 10.0 111.451 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -37.63 77.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.251 1.42 . . . . 10.0 109.988 168.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.88 -12.42 60.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.033 2.133 . . . . 10.0 115.474 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.261 1.824 . . . . 10.0 112.28 -179.707 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.466 -0.198 . . . . 10.0 110.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -136.01 17.32 3.25 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.137 1.375 . . . . 10.0 112.771 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -137.86 165.59 26.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.2 1.4 . . . . 10.0 112.217 -171.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -63.12 160.81 14.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.86 1.264 . . . . 10.0 113.119 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -63.8 137.06 57.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.534 0.734 . . . . 10.0 111.375 172.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -82.46 1.43 37.57 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.312 1.227 . . . . 10.0 114.312 -175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -147.84 155.83 42.06 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.787 1.635 . . . . 10.0 111.492 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.4 169.62 41.35 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.084 1.326 . . . . 10.0 113.236 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -68.07 153.6 95.12 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 124.868 1.267 . . . . 10.0 112.417 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.56 156.84 10.6 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.814 3.009 . . . . 10.0 113.993 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.5 pt -137.02 159.94 68.05 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.066 1.347 . . . . 10.0 112.507 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.89 166.95 1.78 Allowed 'Trans proline' 0 CA--C 1.54 0.815 1 C-N-CA 125.35 4.034 . . . . 10.0 115.197 170.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -144.75 151.31 49.43 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 125.476 1.51 . . . . 10.0 110.836 170.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.97 127.27 12.0 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.032 2.488 . . . . 10.0 112.079 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -146.9 16.86 1.24 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.802 1.241 . . . . 10.0 112.829 -174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.0 -25.86 66.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.73 18.6 78.78 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 115.909 1.124 . . . . 10.0 115.909 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -145.64 176.1 9.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.365 1.466 . . . . 10.0 112.642 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -139.38 171.97 13.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.728 1.611 . . . . 10.0 112.68 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.2 m -54.41 136.61 43.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.501 1.521 . . . . 10.0 114.145 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.4 m -127.15 -28.77 2.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.672 1.189 . . . . 10.0 112.936 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.72 147.18 53.61 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.128 -0.982 . . . . 10.0 112.529 172.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -145.32 9.62 1.24 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tt -148.95 140.88 23.74 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.491 1.516 . . . . 10.0 110.464 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -152.07 156.37 39.77 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.522 1.529 . . . . 10.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.36 -5.65 0.32 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.723 1.379 . . . . 10.0 114.723 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.02 124.5 22.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.193 0.997 . . . . 10.0 111.577 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.31 -163.42 35.53 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.525 1.06 . . . . 10.0 113.303 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.1 pt -134.13 166.43 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.268 1.827 . . . . 10.0 111.074 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.32 155.58 70.13 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.179 1.392 . . . . 10.0 111.864 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.64 8.53 1.89 Allowed 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.245 3.297 . . . . 10.0 114.769 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -53.14 -29.9 33.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.395 1.478 . . . . 10.0 114.078 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -58.25 -30.31 66.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.41 1.084 . . . . 10.0 113.412 171.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.378 25.0 ttt -95.18 -13.6 24.85 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 170.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -65.06 -37.96 89.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.004 -1.685 . . . . 10.0 106.802 166.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -37.83 87.97 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.71 1.604 . . . . 10.0 112.314 168.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 1.7 mm? -56.49 -50.74 70.89 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.848 1.658 . . . . 10.0 110.158 170.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -65.98 -35.09 79.64 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.451 0.469 . . . . 10.0 111.132 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.47 -47.74 69.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.434 2.293 . . . . 10.0 112.742 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.29 -36.18 34.8 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.751 1.159 . . . . 10.0 112.638 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -65.85 -27.27 68.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.742 1.617 . . . . 10.0 111.031 170.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.13 -37.57 38.23 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.084 1.354 . . . . 10.0 111.629 168.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.39 -42.89 96.84 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.63 1.172 . . . . 10.0 111.034 174.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.34 -60.17 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 125.884 1.674 . . . . 10.0 108.808 169.735 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -40.03 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.771 0.429 . . . . 10.0 111.675 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.13 72.53 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.3 -0.875 . . . . 10.0 112.275 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.393 3.0 t60 -72.37 -19.24 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.322 1.849 . . . . 10.0 112.034 170.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.42 -40.97 28.69 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.513 1.506 . . . . 10.0 109.806 168.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -68.17 -37.74 81.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.305 1.412 . . . . 10.0 111.517 174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -64.51 -26.72 68.55 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.257 -0.902 . . . . 10.0 109.572 168.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.703 HD13 ' HB3' ' A' ' 87' ' ' LEU . 18.1 tp -73.31 -49.84 25.38 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 117.617 -1.182 . . . . 10.0 112.173 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -58.53 -38.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 121.166 1.803 . . . . 10.0 110.626 173.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -66.32 -40.46 89.94 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 116.134 -1.889 . . . . 10.0 109.432 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.67 75.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 122.313 2.324 . . . . 10.0 111.95 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -43.85 97.44 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.277 0.944 . . . . 10.0 110.281 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.58 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.03 -37.65 86.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.605 1.962 . . . . 10.0 113.04 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 1.3 mmpt? -69.16 -39.43 78.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.714 2.005 . . . . 10.0 109.605 173.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.369 0.3 OUTLIER -65.4 -35.14 80.05 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 118.778 -0.629 . . . . 10.0 111.487 171.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.259 1.5 ttpt -65.88 -33.2 75.28 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.012 -1.68 . . . . 10.0 112.933 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.3 -23.24 65.63 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.209 0.913 . . . . 10.0 111.955 169.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.2 -32.8 38.58 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.493 -1.379 . . . . 10.0 112.012 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.01 -37.89 85.0 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.391 -1.443 . . . . 10.0 110.32 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 67' ' ' VAL . 16.9 tptt -56.9 -38.41 72.76 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.3 1.04 . . . . 10.0 110.436 169.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.6 -37.15 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.313 4.1 p -78.16 -21.79 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 118.868 0.758 . . . . 10.0 112.494 169.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.53 -36.96 85.92 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.001 -1.687 . . . . 10.0 111.706 168.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.5 p -112.4 -24.07 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 117.401 2.371 . . . . 10.0 117.401 -166.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -150.62 70.8 8.91 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.509 0.724 . . . . 10.0 112.392 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.279 3.9 Cg_endo -59.14 48.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 127.634 5.556 . . . . 10.0 119.25 -172.984 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -72.98 150.04 42.81 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 119.762 -1.837 . . . . 10.0 108.692 167.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 76.2 m-20 -57.89 -22.49 48.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.654 0.74 . . . . 10.0 112.992 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.97 -40.44 85.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 116.103 -1.903 . . . . 10.0 114.334 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -70.21 -25.12 63.26 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 122.836 2.562 . . . . 10.0 110.117 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 9.5 mttt -75.93 -40.75 53.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.782 1.633 . . . . 10.0 111.272 169.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -69.33 -33.02 72.5 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.999 1.381 . . . . 10.0 114.373 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 m -65.39 -28.57 69.35 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 129.986 3.314 . . . . 10.0 109.122 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -65.07 -51.39 61.71 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 118.338 -1.345 . . . . 10.0 109.76 167.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -58.99 -27.27 65.25 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.828 1.251 . . . . 10.0 113.396 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.86 -45.86 56.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.841 2.456 . . . . 10.0 113.548 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -68.55 -38.3 80.67 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 120.903 -1.123 . . . . 10.0 111.67 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -62.95 -31.83 73.0 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.188 2.595 . . . . 10.0 111.722 169.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.25 -31.9 68.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.105 0.962 . . . . 10.0 111.884 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.29 63.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 120.116 1.325 . . . . 10.0 109.703 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.59 -38.84 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 121.29 1.859 . . . . 10.0 110.394 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -67.96 -38.4 82.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.975 1.261 . . . . 10.0 114.023 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 m -55.85 -54.99 37.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.347 1.459 . . . . 10.0 110.652 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -62.49 -42.42 99.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 129.151 2.98 . . . . 10.0 110.787 -175.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.51 -44.73 70.46 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.999 1.719 . . . . 10.0 111.044 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -57.74 -49.54 76.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.101 0.96 . . . . 10.0 110.22 172.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 90' ' ' LYS . 3.6 tppt? -51.62 -60.15 3.47 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 117.5 -1.238 . . . . 10.0 108.816 171.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 3.3 mm? -64.25 -31.26 72.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 116.547 -1.692 . . . . 10.0 115.257 -169.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.96 -46.35 82.06 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 121.285 1.857 . . . . 10.0 111.199 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -33.57 76.27 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.488 1.144 . . . . 10.0 113.871 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 44' ' ' ILE . 5.3 tp -71.3 -52.58 18.05 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 131.216 3.806 . . . . 10.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.489 ' HE2' ' HB3' ' A' ' 91' ' ' LEU . 52.4 mtmt -61.91 -29.42 70.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.058 0.943 . . . . 10.0 110.474 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -38.07 61.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 117.293 -1.337 . . . . 10.0 113.202 168.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -55.19 -44.3 75.15 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 120.664 1.575 . . . . 10.0 108.008 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.34 -52.37 65.91 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 117.358 -1.306 . . . . 10.0 112.785 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.55 -25.01 50.94 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.328 1.877 . . . . 10.0 114.388 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.68 -45.16 17.61 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.465 1.106 . . . . 10.0 113.719 169.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.43 -53.23 56.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.968 2.507 . . . . 10.0 112.517 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.24 -44.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 126.791 2.036 . . . . 10.0 107.948 -169.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.29 4.77 0.46 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.012 2.125 . . . . 10.0 115.171 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.11 -19.53 4.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.152 2.181 . . . . 10.0 112.857 171.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -60.0 -26.33 65.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.553 1.141 . . . . 10.0 111.068 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -70.99 -17.16 62.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 129.145 2.978 . . . . 10.0 114.673 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.083 1.753 . . . . 10.0 112.165 -169.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.384 0.135 . . . . 10.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -132.59 35.48 3.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.856 1.262 . . . . 10.0 112.681 -169.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -55.0 -15.98 2.44 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -174.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -58.47 -19.86 40.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.306 1.225 . . . . 10.0 114.306 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -64.79 -14.94 60.87 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.842 -1.161 . . . . 10.0 114.082 171.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -71.73 -16.4 62.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.109 0.964 . . . . 10.0 113.307 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -75.56 -177.86 3.85 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.945 1.298 . . . . 10.0 112.309 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.88 174.67 34.53 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.363 0.983 . . . . 10.0 114.032 177.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -142.31 156.39 64.21 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 126.765 2.026 . . . . 10.0 111.562 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.29 160.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.901 2.4 . . . . 10.0 112.325 173.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 pp -60.39 151.78 67.5 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.644 1.177 . . . . 10.0 113.138 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.55 163.68 38.21 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.415 2.743 . . . . 10.0 112.374 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -59.55 131.84 88.38 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.42 0.688 . . . . 10.0 111.643 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.61 165.79 26.56 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.423 2.749 . . . . 10.0 113.224 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.7 158.34 44.11 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.749 2.019 . . . . 10.0 110.173 172.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.22 -8.8 1.0 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.709 1.744 . . . . 10.0 115.709 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.06 -169.19 29.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.234 0.921 . . . . 10.0 114.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -143.69 141.3 30.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.355 1.862 . . . . 10.0 109.391 173.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.65 158.64 29.49 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -153.51 160.47 42.53 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.298 1.439 . . . . 10.0 111.275 175.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p -141.47 47.27 1.68 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.181 1.793 . . . . 10.0 111.04 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.42 -25.6 2.66 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.145 2.178 . . . . 10.0 116.818 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -114.34 1.46 14.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.948 1.299 . . . . 10.0 113.603 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.39 -38.72 78.13 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.107 -0.995 . . . . 10.0 111.459 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 t80 61.31 -49.28 0.12 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 129.155 2.982 . . . . 10.0 117.23 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -69.34 158.45 35.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.804 1.242 . . . . 10.0 114.015 -173.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.39 162.65 17.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.927 1.291 . . . . 10.0 113.453 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.67 1.67 0.03 OUTLIER Glycine 0 CA--C 1.54 1.631 0 N-CA-C 116.645 1.418 . . . . 10.0 116.645 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 tp -153.03 161.6 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.116 1.766 . . . . 10.0 109.911 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -139.65 152.16 67.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.332 1.453 . . . . 10.0 111.001 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -10.38 26.25 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.261 2.641 . . . . 10.0 114.219 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.26 -13.89 22.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -65.78 -30.69 71.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.845 -1.159 . . . . 10.0 112.873 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 37' ' ' LEU 0.436 59.4 ttp -100.29 -17.22 17.4 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 114.717 1.376 . . . . 10.0 114.717 -177.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.93 -40.39 96.34 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 106.877 -1.527 . . . . 10.0 106.877 165.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -59.09 -38.38 79.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.206 1.803 . . . . 10.0 112.154 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 34' ' ' MET . 2.3 mm? -57.58 -51.1 70.86 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 121.08 1.763 . . . . 10.0 110.113 169.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -65.12 -34.34 78.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 120.632 -0.427 . . . . 10.0 111.13 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.22 -49.35 61.3 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.601 2.36 . . . . 10.0 112.939 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.24 -36.29 34.87 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 119.591 1.087 . . . . 10.0 112.899 -171.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -26.57 67.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.267 1.427 . . . . 10.0 111.0 170.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.1 -38.29 31.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.842 1.257 . . . . 10.0 111.291 169.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.72 -43.33 90.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.89 1.276 . . . . 10.0 111.185 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -48.7 -56.93 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 C-N-CA 125.946 1.698 . . . . 10.0 108.907 169.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -41.35 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.867 0.867 . . . . 10.0 112.188 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.73 69.8 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.224 -0.923 . . . . 10.0 112.189 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . 0.373 3.1 t60 -72.55 -19.48 61.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.02 1.728 . . . . 10.0 111.965 169.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.14 -41.36 28.72 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.39 -1.444 . . . . 10.0 109.521 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -39.5 90.98 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.954 1.252 . . . . 10.0 111.143 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.22 -23.97 67.5 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.911 -1.118 . . . . 10.0 110.2 168.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 87' ' ' LEU . 21.4 tp -78.0 -41.78 34.74 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 117.657 -1.163 . . . . 10.0 112.919 173.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 2.2 m -60.77 -41.83 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 120.522 1.51 . . . . 10.0 110.327 169.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.9 m -66.37 -39.29 89.03 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 116.665 -1.636 . . . . 10.0 109.535 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.32 79.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 121.063 1.756 . . . . 10.0 111.105 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 52' ' ' VAL . 1.5 mmm180 -62.03 -48.18 81.4 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.851 0.75 . . . . 10.0 110.253 169.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -62.38 -29.48 70.5 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.2 2.2 . . . . 10.0 113.166 176.476 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -78.27 -41.41 34.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 126.993 2.117 . . . . 10.0 110.194 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 77' ' ' LEU 0.449 0.0 OUTLIER -67.95 -32.84 73.56 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.323 -0.846 . . . . 10.0 111.561 169.958 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -33.57 75.4 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 119.639 -1.913 . . . . 10.0 113.55 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.03 -24.4 62.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.405 1.082 . . . . 10.0 112.133 170.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' HD22 ' A' ' 77' ' ' LEU . . . -80.48 -30.87 37.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.457 -1.402 . . . . 10.0 111.84 168.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.09 -37.59 84.21 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.229 -1.544 . . . . 10.0 109.524 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 67' ' ' VAL . 17.2 tptt -56.76 -36.83 70.25 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 123.724 0.81 . . . . 10.0 110.425 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 67' ' ' VAL . . . -69.95 -39.46 76.04 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 3.2 p -76.24 -21.8 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 118.741 0.701 . . . . 10.0 112.537 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.54 -37.94 89.29 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 119.928 -1.732 . . . . 10.0 111.73 168.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 63' ' ' LYS . 3.8 p -110.25 -24.74 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 117.492 2.405 . . . . 10.0 117.492 -166.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -151.33 72.39 8.39 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.429 0.692 . . . . 10.0 112.007 169.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . 0.278 5.2 Cg_endo -59.78 53.74 0.07 OUTLIER 'Trans proline' 0 CA--C 1.544 1.005 1 C-N-CA 127.495 5.463 . . . . 10.0 118.806 -173.354 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.24 151.84 38.37 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 119.919 -1.738 . . . . 10.0 108.65 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 8.7 p-10 -51.95 -33.0 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -177.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.6 -42.65 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 CA-C-O 116.336 -1.792 . . . . 10.0 113.575 171.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.34 -23.53 66.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 122.856 2.571 . . . . 10.0 110.349 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 71' ' ' ASP . 11.7 mttt -80.72 -29.91 36.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.504 1.521 . . . . 10.0 112.568 171.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -80.09 -38.4 31.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.799 1.64 . . . . 10.0 113.826 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -58.84 -29.3 66.82 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 130.4 3.48 . . . . 10.0 108.026 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD11 HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -63.33 -54.75 32.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.805 -1.158 . . . . 10.0 111.198 167.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -58.56 -25.54 62.63 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.723 1.609 . . . . 10.0 112.965 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.93 -45.49 50.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.016 2.526 . . . . 10.0 113.603 169.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -68.1 -40.75 82.55 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.964 1.364 . . . . 10.0 111.847 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -64.06 -29.01 70.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.219 2.608 . . . . 10.0 111.717 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.41 66.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.13 0.972 . . . . 10.0 111.324 169.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.13 72.4 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 119.921 1.237 . . . . 10.0 109.279 168.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 58' ' ' LEU . 42.1 t -51.84 -39.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 121.32 1.873 . . . . 10.0 110.778 172.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 t -67.39 -38.03 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.024 1.284 . . . . 10.0 113.817 174.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.2 m -55.73 -54.91 38.5 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.349 1.46 . . . . 10.0 110.449 169.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' HD13 ' A' ' 51' ' ' LEU . 4.2 mm? -63.25 -43.12 98.92 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 129.094 2.958 . . . . 10.0 110.939 -175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.82 -44.55 69.76 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.089 1.756 . . . . 10.0 111.042 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.4 m -58.09 -48.43 80.2 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.701 0.8 . . . . 10.0 110.245 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -53.65 -60.17 3.66 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 116.767 -1.587 . . . . 10.0 109.131 172.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' HE3' ' A' ' 95' ' ' LYS . 3.8 mm? -62.62 -29.08 70.35 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 121.426 1.921 . . . . 10.0 115.049 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.53 -49.91 57.75 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-N 120.884 1.675 . . . . 10.0 110.922 169.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -32.39 73.9 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.53 1.165 . . . . 10.0 113.836 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 44' ' ' ILE . 4.6 tp -73.01 -52.17 15.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 130.114 3.366 . . . . 10.0 109.5 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.597 ' HE3' HD12 ' A' ' 91' ' ' LEU . 65.8 mttt -61.79 -30.16 70.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.407 1.083 . . . . 10.0 110.641 174.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -31.25 55.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.898 1.679 . . . . 10.0 114.26 169.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.45 -44.67 96.71 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 106.707 -1.59 . . . . 10.0 106.707 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.96 -51.35 68.01 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 117.385 -1.293 . . . . 10.0 112.281 171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.71 56.25 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 121.385 1.902 . . . . 10.0 114.832 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.75 -46.21 15.82 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.605 1.093 . . . . 10.0 113.625 168.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.4 -53.61 48.79 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 128.309 2.644 . . . . 10.0 112.538 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.24 -44.74 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 126.854 2.062 . . . . 10.0 107.81 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.65 4.84 0.35 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.193 2.197 . . . . 10.0 115.279 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.6 -12.62 4.89 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.475 2.31 . . . . 10.0 113.213 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.51 -26.06 66.98 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.523 1.129 . . . . 10.0 110.535 169.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -70.67 -25.47 63.0 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.162 2.985 . . . . 10.0 114.13 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.648 1.979 . . . . 10.0 112.577 -174.312 . . . . . . . . 0 0 . 1 stop_ save_