data_5vf0_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 5vf0 _Structure_validation_residue.Date_analyzed 2017-05-12 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -79.81 121.97 26.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.565 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.7 pt -124.73 163.79 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.846 . . . . 0.0 108.993 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -121.04 145.91 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.75 136.77 59.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -125.61 120.85 31.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -80.02 167.97 19.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.072 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.43 -25.25 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.43 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.6 p -74.63 -20.8 59.76 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.74 -14.72 24.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.919 -0.378 . . . . 0.0 112.428 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.5 151.83 15.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.038 0.419 . . . . 0.0 109.877 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -129.18 130.01 45.81 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.795 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -130.65 131.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.798 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.2 m -95.2 123.27 38.61 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 tp -121.9 136.7 54.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.246 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.76 115.2 30.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.019 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.39 153.31 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -98.37 148.0 33.91 Favored Pre-proline 0 CA--C 1.539 0.523 0 O-C-N 123.492 0.495 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -33.12 80.54 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.17 1.913 . . . . 0.0 111.9 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.7 p -70.58 -19.84 62.83 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.569 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.78 136.32 47.05 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -79.77 160.85 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.521 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.6 mm -60.95 -42.9 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.55 -33.95 68.65 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.335 0.397 . . . . 0.0 110.205 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -68.3 -39.16 82.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.545 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.71 -43.78 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.45 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -56.05 -48.66 75.61 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.1 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.87 -38.21 67.21 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.344 0.403 . . . . 0.0 110.621 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.29 -41.13 98.95 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.08 -43.02 97.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.457 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -46.35 -46.02 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.292 0.37 . . . . 0.0 110.804 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.11 -35.3 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.095 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.75 -45.1 12.72 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -96.9 -11.94 24.09 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 21.45 68.73 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -108.44 134.82 20.1 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 117.366 0.583 . . . . 0.0 110.784 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.38 138.86 46.47 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.529 2.153 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.05 -33.85 91.08 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.347 2.031 . . . . 0.0 112.229 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.31 -35.54 80.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.354 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -82.74 0.62 42.72 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 123.283 0.364 . . . . 0.0 111.87 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -116.34 130.12 56.61 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.935 0.398 . . . . 0.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -126.83 135.3 50.82 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.209 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -109.58 139.87 44.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.273 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.9 mt -126.69 138.28 55.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.358 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -135.19 121.63 20.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.944 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 17.6 10.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.773 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.53 -19.61 47.25 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 120.079 -0.29 . . . . 0.0 112.971 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.21 149.99 24.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.117 0.458 . . . . 0.0 110.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -75.06 169.33 18.22 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.302 0.376 . . . . 0.0 110.941 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.33 123.89 50.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.184 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -75.43 125.52 29.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.423 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.36 -35.41 62.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.47 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.28 11.41 44.06 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 112.767 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -116.64 162.77 17.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.107 0.453 . . . . 0.0 110.712 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.1 p -107.94 161.95 14.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.027 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -40.34 95.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.983 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.0 p -61.48 -31.46 71.44 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.249 0.343 . . . . 0.0 110.915 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.17 -20.14 64.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.883 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -97.47 9.77 41.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 57.5 48.69 14.03 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.376 0.608 . . . . 0.0 110.671 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -101.59 123.22 54.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -97.66 -176.28 3.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -63.72 139.67 58.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.021 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 55.19 83.65 0.08 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.049 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -128.66 150.1 50.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.381 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.3 m -102.28 115.58 30.86 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.003 0.43 . . . . 0.0 110.869 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 mt -102.55 152.69 20.87 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.275 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -102.07 128.13 48.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.392 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 tp -110.75 132.97 53.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.074 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -127.01 149.52 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 tp -109.84 129.84 55.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.194 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -106.92 89.57 3.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.764 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -47.03 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.515 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -144.41 145.62 32.03 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.43 8.18 72.71 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.939 0 CA-C-O 118.105 -1.386 . . . . 0.0 110.647 -179.677 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.97 126.48 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.526 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 6.0 t -148.63 160.12 43.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.327 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -135.54 150.21 49.67 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.616 0.572 . . . . 0.0 110.428 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.3 142.11 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.148 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -75.65 156.2 35.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.792 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.2 124.41 63.23 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.093 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.79 -11.19 25.69 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 121.919 1.746 . . . . 0.0 112.707 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 29.7 t -89.9 -49.26 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.696 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 11.3 p -125.36 -16.15 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.67 -175.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.98 0.29 Allowed Glycine 0 C--N 1.333 0.388 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 71.7 t -135.55 138.45 48.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.04 119.31 13.14 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 62.5 mt -151.03 140.11 13.48 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.31 161.0 12.21 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.021 1.814 . . . . 0.0 110.991 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.84 -18.27 63.43 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 39.9 p -85.93 -44.26 12.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.963 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -78.41 -7.59 57.53 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.035 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.1 tp -65.57 -36.97 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 O-C-N 122.984 0.177 . . . . 0.0 111.3 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -58.36 -50.56 73.23 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.446 0.466 . . . . 0.0 110.554 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -42.65 94.72 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -57.87 -42.67 85.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.495 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.02 -37.59 83.1 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.276 0.36 . . . . 0.0 110.099 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.76 -34.91 76.69 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.811 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 52.2 p -83.21 -48.11 10.84 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.306 0.379 . . . . 0.0 111.207 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.93 -40.59 70.07 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.77 -34.71 69.68 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 73.5 m -58.48 -40.34 82.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -60.09 -43.17 95.71 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.411 0.445 . . . . 0.0 110.267 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -55.67 -37.97 69.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.564 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -76.57 -19.12 58.22 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.12 -44.7 25.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.95 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.56 -39.39 94.28 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.275 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.9 151.5 44.66 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.409 0.443 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 9.5 m -58.4 147.9 29.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 73.3 mt -95.34 129.16 42.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -131.11 142.16 50.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.664 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 57.0 m -131.41 125.47 32.65 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 13.9 t -62.41 -42.7 99.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 52.5 t -114.66 136.7 50.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.804 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -61.86 -40.2 94.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.618 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.97 -43.84 91.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.692 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -87.97 120.72 29.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.388 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.99 163.28 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.27 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.97 144.92 47.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -127.44 137.48 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.54 120.02 25.93 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.3 p -79.91 166.29 21.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.987 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.92 -22.09 64.02 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.465 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.7 p -75.75 -14.5 60.32 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.5 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.13 -14.57 55.36 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.972 -0.349 . . . . 0.0 112.348 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.84 151.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -129.07 128.89 44.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 tt -130.44 130.96 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.717 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.6 m -94.72 120.77 35.47 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -115.66 138.59 50.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.354 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.4 120.05 39.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.946 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -149.8 -178.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.983 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -131.88 155.55 81.24 Favored Pre-proline 0 CA--C 1.538 0.483 0 O-C-N 123.263 0.352 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.74 -33.0 93.05 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.208 1.939 . . . . 0.0 111.97 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 p -70.52 -26.88 63.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.779 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.3 137.1 56.69 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.531 0.205 . . . . 0.0 110.549 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -83.06 161.31 21.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.398 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.53 -43.54 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.521 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.25 -34.82 64.36 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.167 0.292 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.94 -40.58 71.95 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.659 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.38 -44.98 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -56.94 -50.27 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.322 0.389 . . . . 0.0 110.503 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.29 60.38 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.143 0.277 . . . . 0.0 110.77 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.3 -43.16 99.46 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.973 0.416 . . . . 0.0 109.904 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.222 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -48.95 -36.91 18.52 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.339 0.399 . . . . 0.0 110.578 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.47 -32.61 72.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.882 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.54 -27.88 16.39 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -109.69 -13.43 14.51 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.92 22.28 73.86 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.44 134.59 21.15 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 117.343 0.571 . . . . 0.0 110.774 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.21 148.62 88.94 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.068 1.845 . . . . 0.0 112.628 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.23 -37.07 97.3 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.373 2.049 . . . . 0.0 112.568 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.0 -43.25 91.45 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.462 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.73 -8.98 59.25 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.253 0.346 . . . . 0.0 111.918 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -110.51 129.48 55.78 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 111.759 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -124.63 129.16 50.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.053 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -105.28 134.41 48.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -124.91 137.03 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.156 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.99 126.42 26.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.148 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 25.52 13.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.667 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.73 16.85 67.13 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.887 -0.396 . . . . 0.0 112.827 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -138.77 151.83 47.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.143 0.472 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -80.25 153.76 28.3 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.1 mt -100.41 122.28 42.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.165 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.62 125.74 25.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.337 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.82 -37.09 70.72 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.567 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.76 16.67 35.19 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 123.577 0.548 . . . . 0.0 112.943 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -119.99 168.21 11.39 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.121 0.46 . . . . 0.0 110.775 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.7 p -105.26 162.21 13.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.096 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.33 -41.57 98.67 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.212 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -62.38 -32.96 73.84 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.32 0.388 . . . . 0.0 111.078 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.62 -16.43 60.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.651 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.8 15.62 26.46 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.59 44.95 16.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.25 0.548 . . . . 0.0 110.711 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.9 mt -97.51 124.39 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -102.89 -173.92 2.43 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.26 141.2 58.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 54.42 84.98 0.06 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.6 m -129.71 151.12 50.65 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.489 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 m -102.94 111.45 23.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.972 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -101.65 132.61 47.25 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -92.1 132.53 36.52 Favored 'General case' 0 CA--C 1.519 -0.233 0 O-C-N 123.577 0.548 . . . . 0.0 110.064 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.7 tp -110.82 141.4 44.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.385 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.35 152.13 28.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 tp -109.34 125.06 51.95 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.213 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -98.56 89.62 4.46 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.91 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -80.87 151.17 28.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.43 136.16 33.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.192 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.88 -67.22 1.27 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.788 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.942 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.0 131.41 35.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.532 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 29.3 m -114.75 138.87 50.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.98 148.36 52.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 21.5 m -146.89 142.24 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.73 152.47 37.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.758 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.8 t -88.23 125.13 64.93 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 119.223 -0.418 . . . . 0.0 109.983 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.28 -12.47 27.63 Favored 'Trans proline' 0 N--CA 1.502 2.021 0 C-N-CA 121.86 1.706 . . . . 0.0 112.676 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.3 t -87.67 -52.39 11.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.828 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.0 p -117.94 -11.88 10.2 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.769 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.31 69.77 1.26 Allowed Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 76.0 t -135.65 137.38 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.405 ' C ' HG13 ' B' ' 211' ' ' ILE . 7.4 t-20 -68.81 124.78 24.61 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.405 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.7 mt -152.01 137.42 11.02 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.033 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.33 159.33 13.25 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.882 1.721 . . . . 0.0 110.97 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -60.91 -39.79 90.66 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.273 0.358 . . . . 0.0 111.176 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 20.1 m -67.34 -39.81 85.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.238 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -72.95 -15.69 61.55 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.282 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.73 -43.44 98.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -53.01 -56.36 16.68 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.758 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.32 -41.33 94.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -57.3 -41.69 80.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.43 -37.75 84.65 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.58 -35.88 79.07 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.639 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 88.8 p -82.26 -52.26 7.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.939 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.31 -41.69 63.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.67 -31.28 64.95 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 6.1 t -60.81 -39.93 90.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.727 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.14 -44.33 74.99 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.17 -38.8 58.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.17 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.25 -24.47 63.07 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.457 0.473 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.78 -44.98 25.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.509 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.1 38.38 0.89 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.968 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -77.28 54.95 1.16 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.321 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.05 34.84 1.02 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.367 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 64.3 mt -120.09 132.18 55.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.11 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -96.82 137.92 35.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.0 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 17.7 m -74.32 143.62 44.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 14.2 m -77.15 149.9 35.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 51.1 t -72.09 137.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.85 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.62 142.49 58.38 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -98.37 146.36 25.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.583 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.123 -179.743 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttp . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.212 0.529 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -85.31 121.11 27.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.641 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 pt -124.8 162.28 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.27 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -119.29 141.1 49.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.84 134.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -122.38 117.16 25.38 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.62 163.95 24.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.67 -24.51 67.81 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.532 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -76.65 -16.32 59.58 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.531 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.94 -11.94 34.59 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.473 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.4 150.55 22.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 117.139 0.469 . . . . 0.0 109.913 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -131.18 128.41 39.94 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.688 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 tt -132.69 129.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.532 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.4 m -92.05 122.5 34.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -114.64 133.13 56.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.377 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -96.3 112.8 24.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.669 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -144.58 176.6 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.763 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -119.66 151.55 52.11 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.265 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.81 -21.14 69.39 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.075 1.85 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -83.05 -16.75 45.77 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.491 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.43 145.43 49.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.515 0.198 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -80.87 156.13 26.22 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.369 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.06 -43.18 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.4 -35.74 70.42 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.254 0.346 . . . . 0.0 110.22 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.17 85.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.696 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.2 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.416 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -55.85 -47.32 77.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.437 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.62 67.33 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.308 0.38 . . . . 0.0 110.797 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.2 -42.54 99.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.37 -43.23 98.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.333 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -47.23 -40.17 15.77 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.757 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.21 -37.95 81.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.301 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.67 -36.85 25.6 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -102.29 -9.95 19.94 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.0 22.84 67.15 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 119.784 -0.454 . . . . 0.0 112.213 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -111.62 136.58 21.07 Favored Pre-proline 0 CA--C 1.552 1.025 0 CA-C-N 117.365 0.582 . . . . 0.0 110.558 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.4 146.59 96.4 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 122.253 1.969 . . . . 0.0 112.607 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.02 -35.78 99.06 Favored 'Trans proline' 0 N--CA 1.504 2.126 0 C-N-CA 122.362 2.041 . . . . 0.0 112.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.03 -36.42 83.49 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.473 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -83.03 -8.58 59.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.388 0.43 . . . . 0.0 111.607 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -111.31 128.5 55.97 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.75 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -125.58 132.06 52.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.452 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -108.99 139.03 44.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.917 0.389 . . . . 0.0 111.495 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.42 145.16 35.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.242 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -148.3 119.0 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.01 25.27 3.07 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.591 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.25 82.18 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.92 -0.378 . . . . 0.0 113.113 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -128.13 147.07 50.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.15 0.475 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -80.11 149.0 30.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.466 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.63 124.76 32.54 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.173 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -76.99 130.15 37.08 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.643 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -37.35 80.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.342 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.88 7.06 57.03 Favored Glycine 0 CA--C 1.536 1.362 0 O-C-N 123.516 0.51 . . . . 0.0 112.663 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -120.1 163.08 18.22 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.299 0.55 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -104.24 163.86 12.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.74 -41.15 94.79 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.987 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -59.76 -35.17 74.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.298 0.374 . . . . 0.0 110.833 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.27 -17.05 64.19 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.415 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -103.49 12.62 34.91 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 59.33 39.15 22.69 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.163 0.506 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.7 mt -92.89 123.21 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.31 -173.92 2.45 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.01 141.36 57.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.178 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 54.28 99.0 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.084 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 p -147.12 155.42 42.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.675 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.2 m -105.02 113.36 26.91 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.701 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.9 mt -94.4 167.89 11.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -120.69 120.51 35.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.994 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 tp -104.41 133.62 48.99 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.285 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.61 148.0 30.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.51 129.38 55.29 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.474 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -100.99 89.35 3.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.68 148.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.12 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -65.89 -43.4 88.35 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.9 -163.73 23.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.852 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.924 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.85 127.98 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 44.9 m -124.69 127.04 46.67 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.168 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -90.3 142.43 27.74 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.564 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.3 m -144.02 139.29 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.2 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -76.13 154.82 35.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.689 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 53.9 t -93.08 123.43 61.04 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.41 -8.75 22.22 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 121.896 1.731 . . . . 0.0 112.705 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.71 -51.08 12.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.182 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 13.6 p -121.7 -17.07 7.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.92 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 72.39 71.67 1.04 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 65.0 t -133.01 136.2 55.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -70.35 122.33 19.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 55.7 mt -151.67 140.01 13.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 123.38 0.425 . . . . 0.0 110.744 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.71 164.02 8.23 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 121.914 1.743 . . . . 0.0 110.991 177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -74.77 -10.63 59.7 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.554 0.534 . . . . 0.0 111.697 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 38.8 t -86.29 -45.61 11.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.725 0.298 . . . . 0.0 110.671 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -83.88 -0.69 52.31 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.869 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.3 tp -65.11 -37.43 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 O-C-N 122.934 0.146 . . . . 0.0 110.931 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -60.09 -47.14 87.11 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.155 0.284 . . . . 0.0 111.087 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.88 -44.61 84.83 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -59.13 -42.78 91.43 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.463 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.83 -39.02 90.34 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.27 -33.62 72.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.797 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 95.5 p -84.7 -52.48 6.04 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.199 0.312 . . . . 0.0 111.03 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -43.95 76.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.39 -39.8 92.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 41.1 m -57.52 -33.31 67.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.12 -42.43 98.52 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -57.36 -36.56 71.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.97 -18.38 60.88 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.277 0.36 . . . . 0.0 111.724 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -77.48 -39.76 45.41 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.049 0.218 . . . . 0.0 110.796 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.57 -41.97 91.42 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.42 -69.74 0.21 Allowed 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.378 0.424 . . . . 0.0 110.24 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 49.0 m -156.13 160.05 39.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.657 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.51 121.63 29.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.193 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -93.83 146.84 23.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.951 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 24.6 m -73.57 175.57 6.95 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.067 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 2.6 t 56.35 86.07 0.07 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.095 0.474 . . . . 0.0 110.126 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.81 135.51 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.563 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -58.08 -45.56 86.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.497 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -109.55 138.42 45.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.508 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.786 -179.851 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -83.21 123.3 29.43 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.927 0.767 . . . . 0.0 109.567 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -125.65 158.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.167 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -113.27 141.19 47.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.71 134.05 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -124.37 119.87 30.49 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.77 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.8 p -81.03 163.45 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.062 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.68 -22.38 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.429 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -74.69 -19.48 60.24 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.81 -14.97 29.14 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-O 119.87 -0.406 . . . . 0.0 112.463 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.89 151.24 30.64 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -128.02 129.35 46.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.669 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -130.83 126.41 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.747 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -90.08 125.22 35.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -122.73 135.33 54.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.114 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -100.97 113.29 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.993 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.8 144.96 21.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.182 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -87.61 150.07 47.71 Favored Pre-proline 0 C--O 1.237 0.425 0 O-C-N 123.463 0.477 . . . . 0.0 110.455 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.95 -25.94 82.3 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 122.364 2.043 . . . . 0.0 111.954 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 -19.22 62.13 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.478 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.93 143.5 52.68 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.122 0.264 . . . . 0.0 110.476 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 p -82.85 156.43 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.37 -43.51 90.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.03 -33.58 70.92 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.314 0.384 . . . . 0.0 110.186 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.16 -40.24 82.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.67 -45.04 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.353 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.36 -49.18 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.357 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.95 64.2 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.355 0.41 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.82 -39.82 95.5 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.124 0.487 . . . . 0.0 109.985 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.7 mm -61.79 -40.77 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.95 -35.28 76.33 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 123.629 0.58 . . . . 0.0 110.649 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.84 -38.25 90.03 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.12 -24.22 15.4 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.28 -16.67 18.41 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.61 20.81 66.37 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.7 133.49 22.23 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 117.405 0.603 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.12 142.05 36.47 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.147 1.898 . . . . 0.0 112.803 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.96 -35.44 94.35 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.451 2.101 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.61 -34.52 77.18 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.342 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -82.94 -11.21 58.35 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.294 0.371 . . . . 0.0 111.846 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -114.36 129.26 56.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.991 0.424 . . . . 0.0 111.493 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -127.29 134.98 49.96 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.385 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -106.31 144.22 33.31 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.247 0.342 . . . . 0.0 111.141 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.7 mt -132.13 144.43 37.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.326 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -134.83 137.55 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.084 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 20.47 0.35 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.035 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.58 -21.68 42.99 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 119.897 -0.391 . . . . 0.0 112.887 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.95 149.22 23.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.26 0.53 . . . . 0.0 110.659 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -79.36 153.07 30.04 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -92.46 120.53 33.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.043 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -72.78 131.66 42.6 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.82 -39.8 90.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.481 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.58 7.85 51.7 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 123.411 0.445 . . . . 0.0 112.913 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -116.91 165.43 13.34 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 117.157 0.478 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -108.59 160.17 16.14 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.39 -40.59 94.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.046 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -59.08 -32.32 69.68 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.276 0.36 . . . . 0.0 110.831 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -70.88 -17.13 62.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.792 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -100.29 13.35 34.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 57.65 47.01 16.54 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.319 0.581 . . . . 0.0 110.614 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.71 121.78 53.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -101.91 -173.21 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.84 139.19 58.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 56.66 89.16 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.73 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -133.11 145.45 50.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.559 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -98.07 117.01 31.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -106.2 156.18 18.72 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.148 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -112.67 132.72 55.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.138 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.0 tp -106.09 139.7 40.2 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.224 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -126.76 148.1 31.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -108.73 129.52 55.36 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.344 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -101.22 89.88 3.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.2 mt -72.27 148.3 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -77.51 141.69 39.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.363 0.414 . . . . 0.0 109.977 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.35 48.68 3.45 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.7 0 CA-C-O 118.025 -1.431 . . . . 0.0 110.942 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 47.8 t -113.13 129.2 69.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 13.1 p -80.6 158.36 25.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.348 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.0 152.9 49.34 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 18.9 m -152.95 148.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.134 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.33 155.66 31.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.83 123.17 65.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.83 -12.54 32.97 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 121.873 1.715 . . . . 0.0 112.672 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . 0.427 ' HB ' ' SG ' ' B' ' 223' ' ' CYS . 16.0 t -88.91 -51.98 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.069 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 13.2 p -120.76 -15.6 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.567 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.94 72.1 0.8 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.69 135.86 54.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -67.85 123.12 19.68 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 65.7 mt -151.47 138.81 12.28 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.943 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.74 156.72 14.21 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.913 1.742 . . . . 0.0 110.692 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -59.6 -40.52 87.76 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.45 0.469 . . . . 0.0 110.986 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -69.18 -39.24 78.82 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.451 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -71.77 -14.56 62.03 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.009 -0.542 . . . . 0.0 112.227 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.3 mm -64.58 -43.03 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 119.731 -0.176 . . . . 0.0 110.625 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -54.71 -49.81 69.83 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.417 0.448 . . . . 0.0 110.41 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -68.09 -44.43 76.25 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.773 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -56.38 -36.08 68.45 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.85 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.39 -39.07 86.0 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.251 0.345 . . . . 0.0 110.105 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.14 -35.08 79.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 50.0 m -77.18 -45.8 25.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . 0.427 ' SG ' ' HB ' ' B' ' 206' ' ' VAL . 0.6 OUTLIER -65.23 -42.86 93.0 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.962 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.43 -38.26 89.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 57.4 m -57.98 -34.55 70.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.701 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -59.78 -44.33 93.94 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -58.03 -48.21 80.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.626 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.35 -23.57 62.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.19 -32.05 73.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.46 -45.9 90.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.188 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.42 -33.83 67.41 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.22 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 10.2 t -84.48 124.28 31.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.722 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 16.2 tp -139.72 128.37 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.167 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -106.98 133.93 50.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 87.9 p -78.03 166.95 22.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.0 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 43.0 t -134.23 146.46 50.12 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.62 -45.05 99.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.538 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -58.9 -44.16 91.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.286 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.51 149.45 33.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.191 179.826 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.89 122.34 29.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.019 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 pt -124.95 161.36 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -116.94 142.93 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.49 135.47 62.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -122.17 119.49 31.42 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.773 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.0 p -79.32 161.1 26.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.28 -23.84 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.398 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.9 p -75.22 -19.13 59.93 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.367 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.39 25.69 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.858 -0.412 . . . . 0.0 112.334 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -63.05 151.5 39.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 117.158 0.479 . . . . 0.0 109.895 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -129.85 129.96 44.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.674 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 tt -130.93 132.35 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.819 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m -94.85 123.9 38.58 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -117.09 132.92 56.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.485 -177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -96.62 116.79 29.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.119 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.01 -179.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.215 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -125.01 147.88 58.29 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 123.342 0.401 . . . . 0.0 110.386 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.6 -24.55 78.66 Favored 'Trans proline' 0 N--CA 1.503 2.04 0 C-N-CA 122.342 2.028 . . . . 0.0 112.04 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -82.01 -13.3 57.59 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.453 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.11 144.74 42.73 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.155 0.285 . . . . 0.0 110.526 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p -82.23 157.49 23.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.5 mm -60.83 -43.15 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.515 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -57.79 -30.0 65.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.334 0.396 . . . . 0.0 110.186 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -72.21 -39.65 68.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.43 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.643 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.43 -48.01 77.89 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.328 0.393 . . . . 0.0 110.343 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.02 -40.14 63.65 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.262 0.351 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.06 -41.91 99.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.015 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.59 -42.87 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.524 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -49.98 -41.41 46.84 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.333 0.395 . . . . 0.0 110.62 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.61 -35.47 79.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -80.74 -45.62 16.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -98.97 -6.1 29.33 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.84 24.2 71.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -110.8 131.28 22.19 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 117.323 0.561 . . . . 0.0 110.91 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.64 146.83 82.95 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.15 1.9 . . . . 0.0 112.779 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -55.17 -39.19 92.27 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.493 2.128 . . . . 0.0 112.206 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.69 -36.13 81.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.571 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.5 -8.63 58.75 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -117.35 128.24 54.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.987 0.422 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -122.92 123.26 40.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.995 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -100.07 134.76 42.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.237 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -123.27 141.66 42.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.188 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -135.62 120.26 18.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.153 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.34 18.82 11.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.918 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.98 -19.32 47.0 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.916 -0.38 . . . . 0.0 113.009 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -104.48 148.18 26.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 117.323 0.562 . . . . 0.0 110.55 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -79.22 147.57 32.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.801 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -83.55 124.41 30.73 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.285 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -75.46 128.82 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.456 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -59.52 -37.14 77.55 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.7 8.25 56.0 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 123.335 0.397 . . . . 0.0 112.851 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -115.17 165.29 13.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.061 0.431 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -108.8 160.47 15.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.808 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.45 -40.41 86.76 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.061 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.4 -36.69 78.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.837 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.11 -17.53 64.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.937 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -100.84 13.51 34.77 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 58.32 43.03 20.66 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.179 0.514 . . . . 0.0 110.645 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -99.8 127.78 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -110.16 -170.42 1.64 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -61.69 133.39 55.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 56.51 93.91 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.677 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.7 m -133.35 146.7 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.677 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.9 m -98.04 114.98 27.3 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.64 146.55 28.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.94 127.59 41.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.139 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -107.49 133.28 52.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.098 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 t -126.57 147.77 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -107.8 131.79 54.1 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -107.44 87.74 2.57 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.55 155.07 40.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.211 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -66.39 -44.07 84.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.713 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.82 -177.14 47.6 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 118.074 -1.403 . . . . 0.0 110.817 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 48.7 t -115.45 132.37 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.532 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 75.4 p -86.56 166.05 15.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -137.56 150.41 47.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.364 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.06 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.48 152.79 41.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.35 119.14 68.75 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.258 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -67.76 -13.07 37.57 Favored 'Trans proline' 0 N--CA 1.507 2.286 0 C-N-CA 122.156 1.904 . . . . 0.0 112.649 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.76 -52.45 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.81 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 11.0 p -121.65 -15.72 7.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.777 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 63.06 77.96 0.2 Allowed Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.04 140.48 45.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -68.43 117.69 10.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 62.8 mt -146.22 140.81 15.79 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -55.78 156.53 18.69 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.947 1.765 . . . . 0.0 110.889 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -66.19 -18.83 65.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -87.76 -43.76 11.64 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.62 0.248 . . . . 0.0 111.011 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -74.4 -9.87 59.01 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.73 -37.35 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 O-C-N 123.054 0.221 . . . . 0.0 111.368 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.12 -46.82 88.35 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.414 0.447 . . . . 0.0 110.417 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.33 -44.59 71.36 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.611 0.569 . . . . 0.0 110.303 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -56.56 -40.67 75.58 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.742 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.82 -39.33 80.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.485 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 14.0 t -76.76 -45.72 28.0 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.374 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -42.05 99.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.792 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.69 -40.85 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.686 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 25.6 m -60.7 -36.34 78.57 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.446 0.467 . . . . 0.0 110.95 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -59.45 -45.08 92.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -48.78 -47.48 41.86 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.592 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -79.85 -20.56 45.69 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.84 -39.13 80.1 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -66.69 -67.03 0.48 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 45.88 44.13 10.8 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.517 0.675 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 88.2 p -60.52 91.71 0.02 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.18 38.03 4.08 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.456 0.646 . . . . 0.0 109.939 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -115.4 4.3 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.489 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 25.5 p -154.32 162.42 41.18 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 15.5 p -80.21 165.91 21.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.285 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 34.2 m -82.72 130.22 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.288 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -125.24 143.64 50.85 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.409 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.92 -42.72 99.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.367 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttp . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -89.87 118.8 29.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.995 0.809 . . . . 0.0 109.129 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.72 161.56 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.095 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.93 142.44 47.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 51.4 t -123.17 135.15 64.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -125.51 119.82 29.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.738 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -79.29 164.02 24.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.878 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.23 -22.08 66.83 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.439 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.7 p -75.67 -18.67 59.56 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.439 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.29 -9.42 31.01 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.359 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.38 151.42 44.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 117.126 0.463 . . . . 0.0 109.818 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -129.72 129.27 43.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.653 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 tt -131.72 131.55 62.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.779 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.4 m -94.65 124.87 38.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -119.55 135.27 54.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -99.81 116.97 33.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.317 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -146.11 -173.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 123.572 0.545 . . . . 0.0 110.151 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -127.08 146.31 57.3 Favored Pre-proline 0 CA--C 1.536 0.41 0 O-C-N 123.233 0.333 . . . . 0.0 110.606 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.57 -22.74 73.42 Favored 'Trans proline' 0 N--CA 1.504 2.093 0 C-N-CA 122.258 1.972 . . . . 0.0 111.951 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -80.19 -17.31 52.72 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.368 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.0 148.67 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.768 0.318 . . . . 0.0 110.186 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.4 p -84.64 158.36 20.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.06 -42.97 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -58.43 -33.05 69.27 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.361 0.413 . . . . 0.0 110.606 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -69.37 -40.48 77.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.636 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.98 -44.7 99.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.69 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.04 -48.07 76.7 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.33 0.394 . . . . 0.0 110.318 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -40.91 62.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.66 -42.36 99.57 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.371 0.419 . . . . 0.0 109.897 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.07 -43.55 99.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.431 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -48.08 -40.28 22.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.566 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.17 -35.24 77.73 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.167 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.56 -41.47 17.87 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -99.76 -9.14 23.36 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.93 21.96 68.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.3 135.24 19.97 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 117.236 0.518 . . . . 0.0 110.884 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.5 140.58 93.7 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.112 1.875 . . . . 0.0 112.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.25 -35.78 96.05 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.417 2.078 . . . . 0.0 112.049 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.44 -36.94 84.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.505 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.71 -9.93 59.51 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -111.02 129.33 55.94 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 111.379 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -126.04 131.51 52.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.925 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -107.66 134.69 50.28 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.307 0.38 . . . . 0.0 111.409 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.2 mt -124.41 137.2 58.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.135 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -126.21 131.32 51.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.875 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 24.0 2.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.588 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.87 17.44 61.5 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 119.949 -0.362 . . . . 0.0 112.724 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -122.23 145.04 48.59 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 117.364 0.582 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -77.16 128.01 33.65 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.949 0.404 . . . . 0.0 110.584 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.2 mt -84.89 102.77 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -63.81 131.83 49.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.499 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.43 -38.76 74.91 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.394 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.96 8.05 47.09 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 123.521 0.513 . . . . 0.0 112.737 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -113.63 162.31 16.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.063 0.431 . . . . 0.0 110.694 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -105.78 160.57 15.12 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.206 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -40.38 91.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.077 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.2 m -60.07 -36.52 77.53 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.207 0.317 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.24 -24.69 67.76 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.614 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -96.14 10.7 36.83 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 59.06 55.51 4.39 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.683 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.45 126.61 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -103.81 -174.98 2.67 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.43 142.04 57.72 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 52.06 82.94 0.06 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -129.85 152.17 49.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.593 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.5 m -99.39 113.61 26.05 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.406 0.441 . . . . 0.0 110.908 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.1 mt -100.09 141.68 32.59 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.145 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -93.28 125.79 38.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.53 134.11 49.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.983 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.1 t -126.05 150.19 31.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 tp -110.23 125.25 52.89 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.163 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -94.85 91.55 6.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.6 tp -116.35 139.64 50.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.024 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -113.56 151.76 31.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.421 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.29 24.87 64.89 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.695 0 CA-C-O 118.067 -1.407 . . . . 0.0 110.759 -179.555 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.61 160.45 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.826 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 16.7 m -61.53 136.89 58.18 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -138.52 153.54 48.75 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.395 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.88 137.21 34.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.98 150.13 42.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.856 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 47.1 t -88.64 123.19 68.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -71.21 -13.14 30.84 Favored 'Trans proline' 0 N--CA 1.507 2.268 0 C-N-CA 122.003 1.802 . . . . 0.0 112.602 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 33.1 t -87.04 -53.22 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.762 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 13.0 p -119.32 -12.1 9.45 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.759 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.86 74.9 0.32 Allowed Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 79.8 t -134.84 138.67 48.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.45 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.3 m120 -68.9 122.26 18.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.45 HG13 ' C ' ' B' ' 210' ' ' ASN . 60.3 mt -149.11 141.17 14.89 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -55.83 156.3 19.67 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.92 1.747 . . . . 0.0 110.897 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -65.92 -16.9 64.28 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 70.8 m -87.08 -44.67 11.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 123.247 0.342 . . . . 0.0 111.047 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -73.9 -6.82 49.54 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.04 -37.69 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 123.118 0.261 . . . . 0.0 111.349 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.89 -50.43 70.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.93 -43.47 87.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.039 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.74 -36.39 72.01 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.784 0.678 . . . . 0.0 110.488 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.12 -38.94 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.173 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.73 -36.59 84.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 77.9 p -76.05 -41.01 52.02 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.89 -45.68 77.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.62 -39.61 91.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.713 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 40.5 m -55.75 -40.37 72.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -55.87 -45.34 78.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.243 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -61.43 -41.01 96.51 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.559 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.84 -25.6 62.9 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 123.557 0.536 . . . . 0.0 111.193 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -76.0 -41.08 52.2 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 123.162 0.289 . . . . 0.0 110.959 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.26 -40.73 95.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.367 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -105.64 160.47 15.17 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 94.1 p -73.59 162.88 28.74 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.636 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 19.3 tp -149.34 136.54 19.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.87 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -138.31 130.47 28.64 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.568 0.543 . . . . 0.0 110.446 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 27.7 p -158.84 168.24 27.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.249 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 89.8 p -148.74 163.51 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.566 0.541 . . . . 0.0 110.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.2 134.9 65.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.268 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -101.67 123.04 45.0 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.283 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 49.75 31.61 4.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.46 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ttp . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.03 122.55 29.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.294 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -127.31 157.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.176 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -111.44 145.69 38.53 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.553 0.533 . . . . 0.0 109.65 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.33 134.93 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -122.6 119.73 31.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.868 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.7 p -80.34 162.96 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.933 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.99 -24.82 67.62 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.454 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.9 p -74.91 -15.13 60.71 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 123.453 0.47 . . . . 0.0 111.404 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.17 -9.25 39.1 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 119.857 -0.413 . . . . 0.0 112.422 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.8 152.56 39.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 117.216 0.508 . . . . 0.0 109.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -131.58 131.16 43.08 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.701 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 tt -133.28 136.72 54.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.857 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -98.01 123.9 42.24 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 135.07 54.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.491 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -98.58 114.51 26.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.89 174.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.267 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -126.09 150.46 69.54 Favored Pre-proline 0 CA--C 1.538 0.486 0 O-C-N 123.306 0.379 . . . . 0.0 110.618 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.34 -34.73 81.63 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.232 1.955 . . . . 0.0 111.992 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -71.24 -22.7 61.95 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.48 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.93 140.18 53.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.292 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -85.83 161.53 19.07 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mm -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -54.45 -37.07 64.76 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.231 0.332 . . . . 0.0 110.391 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -68.78 -41.11 79.23 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.465 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.91 -47.12 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.544 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -56.39 -46.96 79.86 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.408 0.442 . . . . 0.0 110.247 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.97 -40.01 66.5 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.422 0.451 . . . . 0.0 110.731 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -42.07 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.947 0.403 . . . . 0.0 110.037 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.41 -42.27 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.541 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -51.03 -42.34 60.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.484 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.76 -36.15 82.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -82.34 -44.91 15.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.73 -8.18 29.18 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.61 23.21 68.62 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.26 134.58 20.14 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 117.353 0.577 . . . . 0.0 110.917 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.99 143.46 99.76 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.157 1.905 . . . . 0.0 112.694 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -54.75 -40.23 85.7 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.396 2.064 . . . . 0.0 112.302 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.92 -31.03 72.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.534 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -80.01 -5.86 56.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -124.71 131.85 53.43 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.85 0.357 . . . . 0.0 111.426 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -124.15 126.04 45.48 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.096 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.3 mt -96.01 141.36 29.51 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.323 0.389 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.0 mt -131.1 142.11 44.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.174 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -133.84 135.25 43.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.218 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.19 21.38 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.499 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.83 -22.75 38.91 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.932 -0.371 . . . . 0.0 112.759 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -97.54 151.68 19.79 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.238 0.519 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -79.44 149.22 31.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.5 mt -92.84 117.67 30.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.048 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -65.42 127.78 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -57.93 -36.71 72.89 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.545 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 10.65 55.05 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 123.451 0.469 . . . . 0.0 112.965 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mtm-85 -113.05 161.55 16.94 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 117.135 0.467 . . . . 0.0 110.669 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.0 p -102.91 159.14 15.76 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.176 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.01 -41.39 98.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -61.24 -32.77 72.56 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.236 0.335 . . . . 0.0 110.648 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.77 -12.13 61.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.073 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -103.73 9.5 37.09 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.68 39.17 27.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.154 0.502 . . . . 0.0 110.679 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -92.27 118.96 38.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -91.26 -178.57 5.18 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.035 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -68.83 145.01 54.1 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.01 82.69 0.1 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -135.19 150.87 50.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.645 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -103.38 119.42 38.84 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.377 0.423 . . . . 0.0 110.548 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.5 mt -101.54 154.13 19.12 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -101.13 125.38 47.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.072 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -108.26 134.56 50.93 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.13 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.03 146.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 tp -108.38 132.6 53.58 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -104.48 86.48 2.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.5 2.21 38.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -140.69 135.43 31.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 123.306 0.378 . . . . 0.0 110.038 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.97 173.05 44.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.829 0 CA-C-O 118.0 -1.444 . . . . 0.0 110.768 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.98 176.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.104 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 9.3 m -60.73 163.34 5.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.231 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -139.35 155.88 47.38 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.1 m -153.85 149.95 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -75.53 155.03 36.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.818 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.3 t -92.47 123.77 61.13 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.157 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.46 -11.82 28.79 Favored 'Trans proline' 0 N--CA 1.505 2.177 0 C-N-CA 121.904 1.736 . . . . 0.0 112.828 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 41.3 t -90.46 -50.91 12.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.62 -178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 10.9 p -121.46 -18.02 7.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.5 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.34 73.38 0.6 Allowed Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 74.8 t -135.02 140.4 45.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -68.02 118.18 10.86 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 72.6 mt -147.8 141.06 15.25 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.88 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.17 155.19 30.26 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.0 1.8 . . . . 0.0 110.675 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.23 -37.27 79.83 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.409 0.443 . . . . 0.0 110.892 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 67.5 m -69.46 -40.04 77.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -73.31 -12.23 60.77 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.23 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.0 mm -64.02 -42.21 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 119.725 -0.178 . . . . 0.0 110.537 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.11 -60.8 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.275 0.359 . . . . 0.0 110.219 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.86 -42.53 99.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.866 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -57.02 -42.04 79.65 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.37 -36.33 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.238 0.336 . . . . 0.0 110.37 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.28 -34.26 77.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.883 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 24.1 p -88.69 -36.56 16.13 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.548 0.53 . . . . 0.0 111.202 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.3 -45.07 74.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.88 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.75 -43.5 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.81 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 24.4 m -69.54 -41.06 76.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -64.09 -59.33 4.58 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.673 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -35.9 -54.63 0.75 Allowed 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.048 0.843 . . . . 0.0 111.074 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -63.27 -48.71 77.0 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.784 0.678 . . . . 0.0 110.904 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.02 -29.16 67.05 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.463 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.99 -50.43 73.41 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.428 0.455 . . . . 0.0 110.932 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.94 90.71 0.63 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.814 0.34 . . . . 0.0 110.469 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 39.8 t -154.93 149.01 25.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.663 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.93 -42.68 94.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.252 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -121.2 122.75 40.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 47.6 t -75.57 151.56 37.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.094 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 19.3 m -67.57 147.6 52.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.7 130.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -138.3 150.75 46.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.242 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.77 -39.71 94.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.473 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.565 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ttp . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -81.23 122.3 27.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.673 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.88 139.39 51.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.9 146.22 25.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -121.4 138.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -126.23 120.93 31.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -80.48 164.56 22.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.094 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.517 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.9 p -76.79 -16.87 59.34 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.665 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.42 -15.25 27.47 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 119.873 -0.404 . . . . 0.0 112.272 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.95 150.56 24.09 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.3 m -131.92 131.09 42.38 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.66 139.01 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.49 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 m -100.06 120.68 40.21 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 140.28 51.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -109.72 114.97 29.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.565 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.46 172.26 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.589 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -117.64 150.97 47.8 Favored Pre-proline 0 CA--C 1.54 0.586 0 O-C-N 123.413 0.446 . . . . 0.0 110.65 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.44 -30.87 83.68 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.187 1.925 . . . . 0.0 111.998 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 m -73.98 -18.01 60.92 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.616 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.52 142.59 48.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.552 0.215 . . . . 0.0 110.47 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.6 p -83.38 158.55 22.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.382 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.09 -42.66 94.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.79 -32.11 70.31 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 123.36 0.412 . . . . 0.0 110.434 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -70.01 -39.09 76.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.47 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.5 t -61.79 -45.49 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.59 -47.77 75.94 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.25 0.344 . . . . 0.0 110.443 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.02 64.78 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.178 0.299 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.28 -42.18 99.07 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.06 -42.7 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.484 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -50.36 -40.26 48.87 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.31 0.381 . . . . 0.0 110.728 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.29 -35.84 80.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.314 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -85.03 -40.61 16.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -98.4 -8.72 26.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.87 22.54 68.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -111.06 133.26 21.35 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 117.329 0.565 . . . . 0.0 110.755 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.62 146.43 91.63 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.135 1.89 . . . . 0.0 112.675 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.71 -38.45 91.42 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.186 1.924 . . . . 0.0 112.541 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.21 -37.72 88.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.472 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -76.12 -7.91 55.82 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -118.37 128.47 54.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 111.18 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.09 119.94 32.83 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.111 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt -96.94 134.64 40.03 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.375 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.6 mt -125.63 140.78 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.27 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -140.79 118.21 11.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.012 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 73.8 22.76 2.43 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.791 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.3 11.29 78.49 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.986 -0.341 . . . . 0.0 112.939 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -127.91 147.83 50.48 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.261 0.53 . . . . 0.0 110.12 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.81 135.21 37.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.63 137.1 43.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.381 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -87.51 122.65 31.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.701 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.37 -35.73 74.46 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.79 10.18 47.7 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.444 0.465 . . . . 0.0 112.634 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.5 178.1 4.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.335 0.568 . . . . 0.0 110.559 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -121.93 162.64 20.69 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.67 -40.14 86.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.957 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t -60.15 -39.73 87.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.576 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -62.43 -18.3 61.39 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.602 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -97.83 8.73 44.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 57.38 43.59 22.98 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.267 0.555 . . . . 0.0 110.616 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.8 mt -96.97 120.57 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -86.97 177.96 7.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.196 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.72 145.3 56.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.978 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 51.78 89.5 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 p -137.5 154.74 49.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.385 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -103.03 119.89 39.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.08 159.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.84 124.9 50.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.118 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.84 133.09 52.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.6 t -115.67 145.18 21.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 tp -107.08 130.09 54.73 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -96.05 12.46 30.48 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.29 138.0 51.34 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.956 0.408 . . . . 0.0 110.062 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -87.1 142.12 28.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.173 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.82 -75.72 0.23 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.839 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 25.0 m -111.84 131.2 63.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 61.6 m -109.86 121.36 45.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.291 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.43 151.77 19.53 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.598 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 21.4 m -152.15 147.5 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.917 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -74.92 151.27 38.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.872 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.83 123.51 63.01 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -67.8 -13.22 37.93 Favored 'Trans proline' 0 N--CA 1.504 2.107 0 C-N-CA 122.192 1.928 . . . . 0.0 112.69 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 34.4 t -91.67 -50.65 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.828 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 12.3 p -121.39 -18.22 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.678 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 67.51 73.22 0.69 Allowed Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.34 138.14 51.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -68.14 119.98 13.61 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 48.6 mt -149.13 140.54 14.34 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.167 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 157.15 25.65 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.803 1.668 . . . . 0.0 110.664 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -60.58 -36.66 79.05 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.308 0.38 . . . . 0.0 111.372 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -69.51 -38.96 77.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.376 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -74.62 -13.29 60.62 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.05 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.6 mm -64.99 -41.83 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -56.69 -48.35 77.84 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.513 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.27 -43.49 67.08 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.61 0.569 . . . . 0.0 109.917 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -57.0 -39.36 74.55 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.807 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.68 -37.29 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.335 0.397 . . . . 0.0 110.24 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.57 -35.47 80.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.566 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 32.7 t -79.84 -46.68 16.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.57 -47.31 84.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.753 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.05 -41.87 97.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 46.9 m -63.23 -39.1 93.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.969 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -65.28 -46.1 81.79 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -48.35 -49.93 32.46 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.865 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.01 -62.7 1.28 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.413 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -44.83 -30.78 1.04 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.291 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -65.12 -49.55 69.48 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.119 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.17 -41.46 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.934 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 20.6 p -47.5 -33.86 6.81 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.406 0.441 . . . . 0.0 110.932 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.78 139.93 53.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -62.25 -41.92 98.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.219 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 46.7 m -55.48 -42.21 74.04 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 39.5 t -69.76 138.24 52.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.43 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 11.8 p -142.26 141.16 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.249 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -144.89 62.81 1.31 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.446 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.86 -41.71 97.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.453 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptt? . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.44 120.94 24.55 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -124.14 162.66 25.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.219 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.28 142.88 47.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.633 0.583 . . . . 0.0 109.535 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.1 t -122.65 134.89 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -127.79 117.99 22.89 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.546 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -81.3 165.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.833 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.28 -25.17 67.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -75.94 -15.06 60.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.545 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.38 -7.72 43.55 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 119.876 -0.402 . . . . 0.0 112.423 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -61.51 132.73 54.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.191 0.495 . . . . 0.0 109.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m -117.11 124.19 48.61 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.511 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.05 135.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.739 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.6 m -96.44 125.16 40.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -123.99 140.49 52.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.199 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -104.77 115.52 30.45 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.214 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.2 m -138.95 153.96 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.222 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -99.02 144.45 28.22 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.388 0.43 . . . . 0.0 110.638 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.96 -35.25 79.95 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 122.168 1.912 . . . . 0.0 111.775 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -70.47 -18.33 62.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.626 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.86 142.33 46.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.62 0.247 . . . . 0.0 110.576 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -83.4 157.92 22.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.193 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -60.56 -42.88 93.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -55.9 -34.23 65.37 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.212 0.32 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -70.98 -39.95 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.04 -46.26 96.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.358 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -54.96 -46.56 75.04 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.178 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.76 -40.26 62.98 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.249 0.343 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.09 -42.61 96.86 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.64 -42.59 96.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.495 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.32 -40.7 59.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.473 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.41 -36.09 81.96 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.43 -42.41 16.99 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.77 -9.77 22.62 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.95 22.84 68.96 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.3 134.61 19.67 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-N 117.305 0.552 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.55 132.57 52.63 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.265 1.976 . . . . 0.0 112.399 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.22 -36.83 94.22 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.417 2.078 . . . . 0.0 112.459 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.89 -21.37 66.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.926 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -97.58 3.48 50.51 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 123.158 0.286 . . . . 0.0 111.691 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -118.6 129.84 55.54 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.02 0.438 . . . . 0.0 111.286 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -122.86 121.6 36.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.684 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.8 mt -99.15 133.46 43.4 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.268 0.355 . . . . 0.0 110.967 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -124.02 138.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.38 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -126.06 130.3 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.932 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.82 24.72 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.832 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.68 19.72 53.27 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.735 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -125.51 146.11 49.8 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.372 0.586 . . . . 0.0 110.16 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -78.23 132.03 37.38 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.6 mt -90.14 102.58 15.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.423 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.64 133.18 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.679 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.14 -38.93 71.5 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.249 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.93 8.64 35.88 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 123.438 0.461 . . . . 0.0 112.858 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -113.58 160.7 18.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.106 0.453 . . . . 0.0 110.737 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.5 p -105.72 157.93 17.08 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.912 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.07 -41.88 89.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.028 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -58.15 -32.94 68.65 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.682 0.277 . . . . 0.0 110.852 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.74 -32.71 74.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.555 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -91.19 10.89 25.19 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 57.44 54.76 6.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.441 0.639 . . . . 0.0 110.988 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -105.18 116.67 49.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -96.77 -174.27 2.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.51 138.48 58.1 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 56.66 83.8 0.1 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -131.38 149.34 52.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 m -100.61 115.65 30.69 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.344 0.402 . . . . 0.0 110.641 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.2 mt -103.99 134.96 46.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.467 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -94.21 126.26 39.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.7 tp -109.69 138.77 45.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.8 t -119.53 147.55 23.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.3 tp -103.19 134.26 46.91 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.71 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -88.25 13.5 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.175 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.79 131.51 22.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.442 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -83.19 127.5 33.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.467 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.4 -37.93 94.37 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.807 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.857 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 51.3 t -123.39 132.09 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.496 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 54.5 m -119.34 127.87 53.58 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.31 150.61 27.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.333 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.99 133.92 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.238 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -70.62 147.16 49.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.68 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.38 124.48 61.05 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.92 -10.04 24.3 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.865 1.71 . . . . 0.0 112.665 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.8 t -91.7 -47.44 14.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.423 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 10.7 p -126.11 -16.69 5.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.56 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 63.83 75.77 0.33 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.25 137.81 51.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -68.39 122.22 17.94 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 58.1 mt -149.34 140.8 14.5 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.891 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.88 153.83 35.49 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.858 1.705 . . . . 0.0 110.846 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.97 -16.75 60.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 68.2 p -86.7 -42.3 13.48 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.612 0.244 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -76.14 -4.79 43.51 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.312 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 9.2 tp -65.11 -39.2 84.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 O-C-N 122.969 0.168 . . . . 0.0 111.299 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.09 -46.83 87.32 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.349 0.406 . . . . 0.0 110.488 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.42 -43.48 77.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.063 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -58.8 -39.7 81.88 Favored 'General case' 0 CA--C 1.527 0.066 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.891 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 32.9 mt -59.36 -39.27 82.71 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.161 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.74 -34.52 78.06 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 34.4 t -77.91 -49.32 14.41 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.285 0.366 . . . . 0.0 111.395 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -44.73 96.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.744 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.81 -38.9 92.83 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.821 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 4.7 t -57.42 -35.73 70.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -61.19 -44.57 97.08 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.962 0.41 . . . . 0.0 109.95 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -56.25 -34.11 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.694 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.33 -16.29 60.42 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.507 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.92 -37.0 35.56 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 120.44 0.162 . . . . 0.0 110.892 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.87 -44.79 96.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -53.15 -67.09 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.318 0.386 . . . . 0.0 110.59 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 34.2 t -127.89 119.53 25.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.434 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.88 149.61 43.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.867 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -65.64 83.44 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 123.547 0.53 . . . . 0.0 110.297 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 41.4 m -61.63 -39.35 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.101 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 45.7 p -149.26 167.88 24.82 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 10.4 p -119.44 137.46 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.117 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.62 -42.98 85.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.186 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -72.04 132.76 44.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.401 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ttp . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -85.3 120.65 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.588 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.42 161.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.095 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -117.49 144.29 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.575 0.547 . . . . 0.0 109.591 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.41 134.58 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -124.28 119.44 29.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.995 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.7 p -80.67 165.57 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.897 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.17 -22.76 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.436 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.8 p -74.75 -18.96 60.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.46 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.32 -15.28 30.26 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.909 -0.384 . . . . 0.0 112.437 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.44 150.59 26.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.093 0.447 . . . . 0.0 109.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -128.32 131.4 48.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 tt -132.63 133.73 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.794 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -96.94 124.56 40.95 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 tp -116.66 136.92 52.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.12 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -101.07 110.91 23.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.17 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.0 173.6 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.853 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.94 150.24 55.61 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.465 0.478 . . . . 0.0 110.472 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -34.94 87.43 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 122.065 1.844 . . . . 0.0 112.128 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.8 p -71.12 -21.29 62.22 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.723 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.71 140.45 55.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.653 0.263 . . . . 0.0 110.587 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 p -84.9 159.98 20.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.099 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.63 -43.53 94.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -54.06 -33.53 57.69 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.883 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -71.04 -39.47 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.259 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.48 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.34 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.93 -49.44 71.3 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.304 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.48 -39.67 61.44 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.209 0.318 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.75 -42.27 97.88 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.458 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -46.37 -41.59 13.74 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.341 0.4 . . . . 0.0 110.819 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.07 -35.02 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -88.13 -37.51 16.13 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -101.55 -19.36 15.52 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.84 74.88 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.038 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.92 133.82 20.11 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 117.448 0.624 . . . . 0.0 110.859 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.85 137.8 60.6 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.29 1.993 . . . . 0.0 112.904 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 -38.59 93.58 Favored 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.424 2.082 . . . . 0.0 112.255 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -66.98 -17.65 65.02 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.642 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.21 0.55 51.23 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -121.43 130.66 53.71 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.793 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -124.85 127.19 46.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.306 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -102.11 140.13 36.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.474 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.36 142.23 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.331 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.6 136.95 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.92 19.74 0.49 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.12 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.35 -22.58 38.45 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 120.017 -0.324 . . . . 0.0 112.876 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -99.01 150.37 22.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.14 0.47 . . . . 0.0 110.477 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -77.07 152.75 34.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.689 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.9 mt -97.13 119.71 36.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.238 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -66.58 126.45 28.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -59.84 -36.11 76.14 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.235 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.43 12.52 45.48 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.814 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -116.81 166.73 11.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 117.133 0.467 . . . . 0.0 110.671 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -107.08 160.7 15.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.3 -41.68 97.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.291 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -59.56 -35.85 75.06 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.33 0.394 . . . . 0.0 110.84 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.49 -16.78 64.0 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.721 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -103.59 8.47 37.61 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 56.63 50.96 11.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.312 0.577 . . . . 0.0 110.614 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -100.51 115.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.11 -179.65 6.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.309 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.38 142.93 57.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.032 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 53.66 90.32 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 p -136.46 153.57 51.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.78 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 m -102.72 115.59 30.89 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.293 0.37 . . . . 0.0 110.554 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -100.94 146.49 27.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.486 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -96.08 127.26 41.94 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.391 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -110.51 135.11 51.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -127.41 148.09 32.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -102.94 132.79 48.93 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -105.43 87.59 2.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.983 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.96 146.83 49.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.15 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -70.3 -41.03 73.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.77 -57.36 19.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 117.955 -1.47 . . . . 0.0 110.911 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 14.7 p -155.38 143.59 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 28.6 m -113.91 119.05 35.93 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.79 155.14 47.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.608 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 20.4 m -151.1 145.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.095 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.22 152.6 38.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.7 t -87.68 124.69 67.06 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.38 -14.64 37.64 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 121.791 1.661 . . . . 0.0 112.599 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 36.8 t -89.1 -51.56 12.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 11.0 p -121.92 -13.89 8.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.532 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.61 77.43 0.19 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 78.9 t -134.42 141.58 43.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -68.66 117.35 10.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 79.6 mt -149.59 138.45 12.47 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.06 158.63 17.06 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.133 1.888 . . . . 0.0 110.371 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.73 -39.29 88.08 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.363 0.414 . . . . 0.0 111.289 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 42.7 t -67.16 -41.38 86.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.658 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.7 -13.17 61.65 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.247 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.12 -42.42 91.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -55.94 -48.27 76.06 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.7 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.92 -42.88 69.32 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.557 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.51 -35.35 70.13 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.806 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.37 -39.17 89.67 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.276 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.77 -35.35 80.29 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.042 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 77.9 p -78.83 -42.55 27.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.56 -49.22 69.68 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 59.7 mt -65.04 -40.29 94.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.807 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 74.9 p -62.78 -37.0 84.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.936 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -59.12 -46.01 89.45 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -52.17 -47.86 65.26 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.89 -19.78 65.99 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.155 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -76.0 -51.87 11.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.604 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.41 160.84 26.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 3.2 p 70.09 176.1 0.28 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.537 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.65 158.29 0.06 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.739 0.649 . . . . 0.0 110.241 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -52.44 138.56 27.09 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.283 0.365 . . . . 0.0 111.067 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 61.4 p -151.18 37.23 0.61 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 59.2 m -57.94 -39.02 77.03 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.152 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.63 144.72 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.365 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -110.18 159.76 17.09 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -62.15 -45.69 92.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.408 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.124 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ttp . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -87.19 120.83 28.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.213 0.946 . . . . 0.0 109.284 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.72 160.94 29.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.023 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -116.82 143.97 45.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.539 0.524 . . . . 0.0 109.602 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.09 134.64 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.02 120.37 30.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.54 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -79.5 166.38 22.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.922 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.96 -23.18 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.438 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.5 p -75.38 -18.46 59.95 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.526 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 -11.1 32.21 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-O 119.931 -0.372 . . . . 0.0 112.427 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.03 150.84 28.01 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 117.107 0.453 . . . . 0.0 109.897 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -129.87 129.14 43.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.674 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -132.76 135.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.804 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 m -97.82 123.62 41.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -117.3 133.08 56.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.207 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -97.02 112.46 24.21 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.35 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.4 173.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -123.97 151.75 65.5 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 123.255 0.347 . . . . 0.0 110.532 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.73 -35.2 87.02 Favored 'Trans proline' 0 N--CA 1.503 2.065 0 C-N-CA 122.347 2.031 . . . . 0.0 111.794 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -69.34 -21.0 63.86 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.515 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.38 138.38 49.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 p -83.69 158.15 21.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -59.63 -42.01 86.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.514 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.84 -34.69 69.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.45 0.469 . . . . 0.0 110.246 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.62 -39.89 76.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.458 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -61.16 -46.22 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.587 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.16 -46.93 79.1 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.302 0.376 . . . . 0.0 110.005 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.53 -42.11 67.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.323 0.39 . . . . 0.0 110.608 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.46 -42.42 99.46 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.68 -42.82 97.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.412 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -49.63 -40.92 41.03 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.494 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -66.74 -36.89 83.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.87 -40.64 22.11 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -101.28 -7.84 22.67 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.27 22.35 69.11 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -109.34 131.9 21.58 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 117.221 0.51 . . . . 0.0 110.98 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.12 144.52 99.48 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.178 1.918 . . . . 0.0 112.636 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.84 -37.27 92.64 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.346 2.03 . . . . 0.0 112.396 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.22 -44.07 83.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -77.7 -10.88 59.77 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -108.88 126.38 53.0 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.983 0.42 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -125.5 131.11 52.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.043 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -106.12 132.34 52.31 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.344 0.402 . . . . 0.0 111.27 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.5 mt -121.55 139.09 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.278 178.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -135.5 147.92 49.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.08 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.23 25.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.859 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.13 27.77 47.91 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-O 119.861 -0.41 . . . . 0.0 113.117 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -145.42 153.35 41.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.031 0.416 . . . . 0.0 110.623 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -76.46 142.89 40.84 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.006 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.31 115.83 28.4 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.05 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -68.35 124.58 23.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.57 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.9 -28.55 67.67 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.593 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.38 5.4 80.94 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.509 0.506 . . . . 0.0 112.934 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -115.62 157.32 24.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.968 0.384 . . . . 0.0 110.962 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 p -95.84 161.82 13.85 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.87 0.732 . . . . 0.0 111.124 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.18 -41.63 98.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.155 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m -57.53 -32.84 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.152 0.283 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.08 -10.18 57.87 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -105.25 7.83 33.68 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.79 40.04 29.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.151 0.501 . . . . 0.0 110.694 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -93.78 123.46 45.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -95.28 -177.6 4.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.97 139.18 58.74 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.186 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 55.96 92.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -135.27 150.01 49.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.75 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -101.86 111.86 24.26 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.401 0.438 . . . . 0.0 110.71 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.2 mt -98.32 149.62 22.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.426 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -99.59 124.22 44.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.064 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 tp -107.27 133.98 51.02 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.81 148.88 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -108.25 129.23 55.21 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -102.28 87.0 2.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.179 0.514 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 tp -120.56 133.1 55.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.376 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.38 148.74 22.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.283 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.13 -136.86 4.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.911 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.21 126.64 69.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.584 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 17.9 p -86.27 162.57 18.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.2 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.52 149.66 49.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.502 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.4 m -142.16 139.22 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.219 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -75.53 153.41 37.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.927 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 49.6 t -90.83 121.36 68.2 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.239 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -70.6 -12.18 30.89 Favored 'Trans proline' 0 N--CA 1.507 2.312 0 C-N-CA 121.872 1.714 . . . . 0.0 112.614 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.34 -51.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.697 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 10.9 p -121.73 -16.16 7.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.744 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 64.62 73.67 0.55 Allowed Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.18 135.72 57.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.14 121.28 15.83 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 58.7 mt -149.21 139.71 13.61 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.759 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -54.35 158.38 9.93 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.865 1.71 . . . . 0.0 111.027 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -66.41 -16.47 64.12 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.424 0.452 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 58.2 m -87.06 -44.42 11.57 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.417 0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -78.2 -8.18 58.01 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.79 -40.15 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 123.326 0.391 . . . . 0.0 111.242 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.09 -47.13 86.03 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.463 0.477 . . . . 0.0 110.236 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.65 -45.29 79.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.882 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -57.25 -34.15 68.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.556 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.38 -38.98 85.65 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.341 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.52 -36.02 82.83 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 72.5 m -74.74 -42.16 58.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.367 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -42.74 90.1 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.681 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.96 -40.14 95.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.483 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 46.9 m -60.14 -38.87 84.4 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -59.22 -47.62 84.65 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.55 -34.74 1.47 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.0 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -98.76 -24.84 14.87 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.286 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -68.03 -33.6 74.9 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.351 0.407 . . . . 0.0 110.712 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -53.17 -46.17 68.82 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.83 -30.91 70.37 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.651 0.262 . . . . 0.0 110.936 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 15.4 m -70.84 -31.86 68.7 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.135 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.31 -64.44 0.81 Allowed 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.647 0.592 . . . . 0.0 110.218 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -107.66 168.45 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 22.3 p -150.95 169.98 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.179 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 57.1 m -56.85 -37.98 72.04 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.565 0.541 . . . . 0.0 110.265 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.79 129.36 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -69.77 -39.06 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.449 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.03 -40.8 94.95 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.272 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttm . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -85.77 116.99 24.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.175 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.86 164.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.193 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -122.8 143.11 50.05 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.585 0.553 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.56 134.87 64.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -124.38 118.46 26.76 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.687 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -79.95 164.89 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.985 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.42 -24.19 67.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.401 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -75.72 -13.22 60.3 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.559 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.61 -7.11 49.75 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 119.891 -0.394 . . . . 0.0 112.4 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -62.56 150.83 39.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.266 0.533 . . . . 0.0 109.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -131.47 128.48 39.53 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -132.38 132.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.744 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -95.11 123.82 38.81 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.82 138.17 53.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.606 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -98.36 125.89 43.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.7 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -145.3 -171.06 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.079 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -143.14 148.91 46.77 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 123.241 0.338 . . . . 0.0 110.332 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.48 -36.07 78.51 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.132 1.888 . . . . 0.0 111.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.7 p -71.96 -24.6 61.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.71 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.47 138.87 55.58 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -85.85 160.05 19.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.48 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.83 -42.49 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.55 -36.5 64.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.917 0.389 . . . . 0.0 110.338 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.37 -38.78 81.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.522 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.51 -44.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.303 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.68 -48.71 72.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.123 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.16 68.88 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.299 0.374 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.55 -42.57 99.62 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.48 -42.91 97.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.395 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -47.25 -42.36 20.35 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.111 0.257 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.77 -35.64 79.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.64 -40.91 15.69 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -102.49 -14.09 16.96 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.67 22.02 63.56 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.919 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -103.78 135.27 19.39 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 117.447 0.624 . . . . 0.0 110.726 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.63 138.96 88.64 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.164 1.909 . . . . 0.0 112.812 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.66 -37.83 96.87 Favored 'Trans proline' 0 N--CA 1.503 2.068 0 C-N-CA 122.351 2.034 . . . . 0.0 112.48 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -63.22 -38.34 90.79 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.424 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.25 -5.59 49.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.733 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -120.29 130.52 54.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.435 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -123.84 124.72 43.28 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.279 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.95 139.73 31.73 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.413 0.445 . . . . 0.0 111.571 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.36 140.17 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.348 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -139.38 120.31 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.224 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.68 24.54 5.43 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.835 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.26 71.04 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-O 119.97 -0.35 . . . . 0.0 113.126 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -134.17 150.1 51.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.102 0.451 . . . . 0.0 110.345 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -76.39 155.21 34.22 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -102.59 123.81 46.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -75.97 122.8 24.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.621 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -56.15 -31.65 63.55 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.565 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 8.23 58.93 Favored Glycine 0 CA--C 1.536 1.398 0 O-C-N 123.508 0.505 . . . . 0.0 112.838 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -117.17 159.88 21.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 117.287 0.544 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.6 p -99.71 160.38 14.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.455 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.42 -42.45 98.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.083 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.0 p -58.48 -31.07 67.49 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.338 0.399 . . . . 0.0 110.76 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.21 -22.79 65.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.518 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.26 9.53 39.43 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 57.42 37.73 27.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.113 0.482 . . . . 0.0 110.635 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -92.03 125.45 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -98.41 -175.82 3.21 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.336 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.34 143.6 56.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.38 79.46 0.14 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -126.32 151.58 47.36 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.422 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 m -101.46 112.52 25.08 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.312 0.383 . . . . 0.0 110.927 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.3 mt -98.93 141.49 31.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.279 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -95.19 124.81 39.43 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.512 0.508 . . . . 0.0 110.219 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.07 136.28 47.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.331 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.9 t -123.45 147.0 27.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.81 123.58 48.55 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -92.64 93.12 8.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.6 149.62 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.616 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 58.27 155.72 0.02 OUTLIER 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.884 0.74 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.26 -129.5 6.46 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.005 -1.442 . . . . 0.0 110.853 179.803 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.76 137.4 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.093 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 7.1 m -64.02 142.23 58.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.228 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -136.32 150.83 49.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.508 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.2 m -134.82 132.76 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.068 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -69.61 145.73 52.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.754 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.15 121.26 75.49 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.887 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -68.26 -15.95 43.27 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.224 1.949 . . . . 0.0 112.851 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.72 -54.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.057 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.0 p -116.65 -6.42 11.61 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.729 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.95 69.57 1.24 Allowed Glycine 0 C--N 1.34 0.762 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 77.1 t -134.11 137.14 52.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -68.94 129.75 40.82 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 72.3 mt -152.99 142.22 14.61 Favored Pre-proline 0 CA--C 1.544 0.72 0 O-C-N 123.353 0.408 . . . . 0.0 110.589 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.96 160.73 24.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.981 1.787 . . . . 0.0 111.102 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.16 -29.37 68.23 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.425 0.453 . . . . 0.0 111.216 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 79.8 p -84.12 11.43 8.07 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.38 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -132.31 -12.61 3.13 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.0 tp -66.69 -39.52 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 122.96 0.162 . . . . 0.0 111.247 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.34 -47.33 86.53 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.381 0.426 . . . . 0.0 110.531 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -69.74 -44.97 69.18 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.02 -36.74 73.12 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.95 -40.21 92.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.276 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.17 -35.09 79.65 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.2 p -77.6 -41.25 39.33 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.64 94.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.809 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.61 -38.96 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 58.2 m -61.48 -38.47 87.4 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.86 -48.15 83.13 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.412 0.445 . . . . 0.0 110.424 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -40.38 -46.14 2.31 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.884 0.74 . . . . 0.0 111.181 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.86 -54.72 7.34 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 123.61 0.569 . . . . 0.0 110.008 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -42.09 -56.45 2.84 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.638 0.586 . . . . 0.0 110.946 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.1 -50.78 52.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.462 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 63.53 -75.22 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.596 0.56 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 47.5 t -160.01 165.76 31.3 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' B' ' 234' ' ' ARG . 72.7 mt -108.82 115.89 30.95 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.306 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' B' ' 233' ' ' LEU . 82.1 mtp180 4.04 -81.15 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.148 1.53 . . . . 0.0 111.885 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 62.9 m -135.17 150.77 50.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 28.2 t -72.99 146.09 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.978 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.91 130.57 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.41 -41.48 96.6 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.501 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -82.74 144.99 29.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.64 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.7 mtp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -84.31 100.85 11.52 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 pt -114.46 141.7 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.288 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -101.13 141.19 34.38 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.554 0.534 . . . . 0.0 109.703 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.04 133.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -125.64 119.21 27.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.858 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 p -80.73 164.97 22.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.036 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.1 -25.43 68.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.679 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.1 p -74.59 -17.3 60.74 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 123.541 0.525 . . . . 0.0 111.552 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.83 -5.73 32.7 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.831 -0.427 . . . . 0.0 112.486 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.94 151.93 38.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.131 0.466 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 m -133.44 127.51 33.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.739 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 tt -134.19 129.36 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.778 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -90.04 127.25 36.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -126.92 135.39 50.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.344 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -94.53 140.11 30.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.708 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -150.4 -169.86 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.182 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -144.1 148.76 42.93 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 123.341 0.401 . . . . 0.0 110.527 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.81 -34.12 90.29 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.247 1.964 . . . . 0.0 111.998 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -82.7 -10.58 58.85 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.546 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.33 135.25 38.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -83.84 159.48 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.408 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.08 -42.34 92.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.34 -35.63 62.92 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.314 0.384 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.6 -39.28 80.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.95 -45.7 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.461 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.04 -47.21 78.29 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.135 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.4 -39.65 67.48 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.349 0.406 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.85 -42.64 99.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.79 -43.16 97.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.331 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -43.94 -48.44 8.56 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 123.17 0.294 . . . . 0.0 110.797 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.36 -33.67 76.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -83.2 -46.05 13.16 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -104.56 -9.93 17.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.48 25.73 67.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.25 130.95 22.42 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 117.335 0.568 . . . . 0.0 110.894 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -56.87 139.34 89.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.266 1.977 . . . . 0.0 112.62 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.17 -38.98 93.26 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.39 2.06 . . . . 0.0 112.402 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.16 -36.77 82.86 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -80.74 -7.75 59.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -107.05 123.27 47.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.046 0.451 . . . . 0.0 111.361 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -119.81 115.41 23.79 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.319 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -96.94 135.45 38.91 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.474 0.484 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.91 143.28 40.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.301 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -135.06 138.96 44.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.978 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 22.16 0.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.7 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -21.41 46.18 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 119.891 -0.394 . . . . 0.0 112.982 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.25 150.31 22.22 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.215 0.507 . . . . 0.0 110.573 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -77.56 146.86 36.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 110.923 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -88.76 126.16 35.21 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.183 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -76.73 125.32 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.457 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.02 -38.84 73.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.623 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.31 49.58 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 123.505 0.503 . . . . 0.0 112.905 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -114.72 158.97 21.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.073 0.436 . . . . 0.0 110.716 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 160.32 14.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.132 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.5 -40.26 90.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.945 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.5 t -59.33 -36.63 76.02 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.636 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -65.76 -18.42 65.32 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -98.98 2.38 46.32 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.06 42.63 25.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.285 0.564 . . . . 0.0 110.513 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.55 119.94 43.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -88.07 -179.81 6.26 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -72.15 149.74 44.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 58.54 75.32 0.4 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.861 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.1 p -131.54 149.91 52.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.739 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -102.43 119.0 38.09 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.399 0.437 . . . . 0.0 110.657 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.01 151.25 22.36 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -103.53 126.44 50.68 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.053 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 tp -112.55 137.49 50.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.73 146.28 34.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -100.97 137.75 38.94 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.816 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -103.03 86.99 2.8 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.745 0.653 . . . . 0.0 109.518 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 mt -86.55 3.88 42.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.911 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -135.82 122.45 20.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.06 33.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.718 0 CA-C-O 117.989 -1.45 . . . . 0.0 110.931 -179.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.47 131.28 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.563 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 24.0 m -73.87 159.53 32.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.271 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -138.91 153.49 48.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.64 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.5 m -139.96 136.1 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.135 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.32 150.13 45.44 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.852 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.34 119.93 69.13 Favored Pre-proline 0 CA--C 1.544 0.745 0 O-C-N 123.25 0.344 . . . . 0.0 110.232 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -67.3 -13.57 39.91 Favored 'Trans proline' 0 N--CA 1.508 2.334 0 C-N-CA 122.298 1.999 . . . . 0.0 112.817 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.75 -52.04 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.115 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 12.5 p -122.12 -14.65 7.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.754 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 64.64 75.03 0.41 Allowed Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 63.4 t -135.36 137.86 49.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.37 124.16 22.76 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 65.2 mt -151.69 141.16 14.17 Favored Pre-proline 0 CA--C 1.541 0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.743 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.17 158.4 18.19 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.815 1.677 . . . . 0.0 111.041 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.96 -14.49 62.9 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.446 0.466 . . . . 0.0 111.465 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 20.3 m -87.67 -44.59 11.08 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.216 0.323 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -79.05 -7.39 58.08 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.914 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 9.2 tp -66.33 -39.74 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 O-C-N 123.152 0.283 . . . . 0.0 111.236 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.93 -46.88 87.38 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.403 0.439 . . . . 0.0 110.374 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -68.5 -44.1 75.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.787 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -57.84 -35.73 71.32 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.67 -38.25 87.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.243 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.13 -35.87 81.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.2 p -76.24 -41.16 50.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -47.52 68.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.789 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.65 -39.95 95.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.703 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 39.6 t -59.11 -38.34 79.34 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -54.5 -45.16 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.921 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -53.25 -40.51 64.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.58 -26.55 60.0 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.513 0.508 . . . . 0.0 111.174 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -70.76 -45.14 65.33 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.118 0.261 . . . . 0.0 110.733 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.9 -50.31 64.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.302 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 39.92 82.5 0.02 OUTLIER 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.361 0.413 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 7.1 p -136.25 138.84 42.23 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.476 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.68 -37.29 67.94 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.565 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.53 -38.25 83.81 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 35.4 t -52.38 -31.49 34.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.726 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 51.4 p -57.66 -34.85 69.81 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.323 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 55.3 t -110.51 134.65 52.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.899 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -98.75 126.41 44.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.292 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -62.01 -41.15 97.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.458 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttp . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -86.48 122.77 30.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.465 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -126.66 156.95 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.87 146.24 38.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.62 0.575 . . . . 0.0 109.591 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.06 137.04 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -126.57 120.31 29.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.909 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -79.75 165.19 23.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.855 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -65.08 -23.22 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.622 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 p -75.59 -16.83 60.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.359 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 -6.41 35.9 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.874 -0.403 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.43 149.29 48.73 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.169 0.485 . . . . 0.0 109.832 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -128.1 127.07 42.39 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 tt -130.17 135.76 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.757 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -98.44 122.97 42.29 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -117.49 134.53 54.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.446 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -98.95 114.83 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.676 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -141.83 173.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -123.05 153.24 64.29 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.247 0.342 . . . . 0.0 110.689 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.48 -35.54 92.41 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.217 1.945 . . . . 0.0 111.972 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -68.29 -22.5 64.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.616 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -71.03 138.37 49.8 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.192 0.307 . . . . 0.0 110.327 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -84.18 161.62 20.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.56 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.22 -43.07 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.682 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.45 -33.66 69.97 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.471 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.19 -40.23 78.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.722 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.76 -44.26 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.476 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.25 -49.57 69.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.339 0.399 . . . . 0.0 110.254 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.7 64.02 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.285 0.366 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.44 -42.46 99.48 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.04 -42.76 97.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -51.95 -39.68 59.64 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.7 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.62 -35.65 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -83.75 -43.92 14.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -97.14 -12.74 22.72 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.84 20.34 77.52 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.17 133.18 20.34 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 117.406 0.603 . . . . 0.0 110.835 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.49 145.74 36.09 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.105 1.87 . . . . 0.0 112.753 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.98 -32.33 35.4 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.364 2.043 . . . . 0.0 112.16 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -70.69 -23.47 62.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.462 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -93.0 9.12 37.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -123.18 131.5 53.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.02 0.438 . . . . 0.0 111.207 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -123.61 121.3 35.23 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.152 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -98.47 136.32 38.77 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.326 0.391 . . . . 0.0 111.353 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -125.16 139.81 50.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.156 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -142.44 119.58 11.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.948 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.98 23.21 3.55 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.774 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 9.61 68.42 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 121.58 -0.343 . . . . 0.0 113.024 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -133.4 149.28 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.186 0.493 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -76.06 159.9 30.33 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.093 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -104.0 114.55 28.87 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.13 128.18 34.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.403 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -57.3 -35.34 69.7 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.507 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 12.12 47.32 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.556 0.535 . . . . 0.0 113.014 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.7 mmt-85 -115.85 162.44 17.31 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.994 0.397 . . . . 0.0 110.699 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.4 p -105.83 160.22 15.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.008 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.66 -41.48 99.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.229 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.8 p -60.78 -32.45 71.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.14 -17.28 63.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.881 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.54 11.25 39.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.25 48.72 16.7 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.292 0.568 . . . . 0.0 110.64 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.8 mt -101.67 120.65 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -93.62 -176.6 4.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.01 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.48 141.28 58.55 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 54.25 90.56 0.03 OUTLIER 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -135.06 149.83 50.17 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.783 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 m -101.43 113.34 26.36 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.347 0.404 . . . . 0.0 110.759 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.6 mt -98.27 153.53 18.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.214 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -101.9 124.97 48.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.992 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 tp -107.67 134.46 50.62 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.195 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.83 147.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -98.94 131.45 45.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.87 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -96.31 89.92 5.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.95 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.6 tp -78.95 142.67 36.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.261 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -65.02 -43.72 91.53 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.86 46.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.982 -1.455 . . . . 0.0 110.929 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.02 131.17 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.492 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 3.2 t -131.65 135.15 46.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.64 148.57 51.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 27.3 m -138.84 135.44 42.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.266 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -70.05 146.88 50.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.928 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.9 t -87.69 121.63 70.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.207 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.08 -12.9 30.95 Favored 'Trans proline' 0 N--CA 1.507 2.287 0 C-N-CA 121.912 1.742 . . . . 0.0 112.833 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.63 -51.99 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.822 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 12.4 p -120.96 -9.57 9.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.774 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.26 75.68 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 70.7 t -138.17 140.16 40.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.452 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.0 m120 -68.19 123.36 20.5 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.452 HG13 ' C ' ' B' ' 210' ' ' ASN . 55.4 mt -148.38 141.81 15.76 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 151.69 45.4 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.929 1.752 . . . . 0.0 110.895 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -63.56 -17.8 63.21 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 59.5 p -87.25 -43.65 12.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -75.71 -1.06 23.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.066 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 9.3 tp -66.53 -39.8 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 123.225 0.328 . . . . 0.0 111.286 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -62.7 -50.23 71.97 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.491 0.494 . . . . 0.0 110.539 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.67 -43.21 90.03 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.96 -42.18 89.27 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.36 -38.55 84.21 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.21 -36.02 80.67 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.603 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 5.1 t -78.84 -48.23 15.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.63 -43.28 89.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.678 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.53 -39.74 92.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 58.8 m -57.06 -35.87 69.85 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -56.8 -46.22 81.72 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.72 -34.92 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.711 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.68 -25.19 66.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.67 -45.35 65.23 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 123.245 0.341 . . . . 0.0 110.867 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -96.68 25.66 5.04 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -49.71 163.23 0.13 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 22.0 p 55.98 -165.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.664 0.602 . . . . 0.0 109.913 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 78.8 mt -135.15 -36.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.567 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.52 -43.36 73.19 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.72 0.637 . . . . 0.0 110.841 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 36.7 t -64.11 -43.66 94.66 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.295 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 29.4 t -61.19 138.29 58.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.51 150.9 24.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 O-C-N 123.705 0.628 . . . . 0.0 110.07 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.0 147.8 36.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -124.71 145.71 49.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.6 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.623 179.737 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -83.8 122.68 29.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.271 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.68 150.23 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.232 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -104.74 144.43 31.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.85 137.2 57.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -129.77 121.94 27.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.724 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.4 p -80.41 165.24 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.96 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.72 -22.4 66.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.554 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.8 p -77.45 -18.66 56.98 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.473 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.37 26.85 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.87 -0.406 . . . . 0.0 112.404 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.47 148.07 34.32 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.212 0.506 . . . . 0.0 109.838 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m -130.06 126.99 38.98 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.8 tt -132.47 132.47 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -94.41 124.33 38.37 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -119.05 140.35 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.416 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -103.89 120.39 40.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.714 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.55 176.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.154 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.87 152.56 62.84 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 123.436 0.46 . . . . 0.0 110.591 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.01 -25.84 72.26 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.213 1.942 . . . . 0.0 111.943 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -77.28 -21.5 53.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.612 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -69.86 140.93 53.28 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.182 0.301 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -81.93 159.3 23.65 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -60.66 -42.21 91.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.78 -34.39 74.42 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.404 0.44 . . . . 0.0 110.147 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.93 -40.38 87.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.481 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.52 -44.65 99.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.495 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.78 -47.81 73.47 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.326 0.391 . . . . 0.0 110.495 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.09 66.2 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.35 0.406 . . . . 0.0 110.776 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.27 -42.45 99.35 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.42 -42.4 96.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.319 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -48.43 -43.1 33.97 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.145 0.278 . . . . 0.0 110.804 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -67.02 -35.64 80.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.272 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -83.27 -43.45 16.03 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -95.47 -12.53 25.7 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.23 70.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -104.89 140.01 20.66 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 117.195 0.497 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.29 130.62 41.14 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.269 1.979 . . . . 0.0 112.701 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.99 -36.62 96.19 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.443 2.095 . . . . 0.0 112.166 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.39 -34.34 76.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.485 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.29 3.25 47.49 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -109.17 126.92 53.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.948 0.404 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -123.66 124.66 43.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.128 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.6 mt -106.31 134.65 49.12 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.334 0.396 . . . . 0.0 111.189 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.49 135.08 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.123 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -125.29 129.76 50.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.043 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.11 17.14 2.55 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.574 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.47 59.13 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 119.73 -0.484 . . . . 0.0 112.848 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -109.77 145.85 35.97 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.576 0.688 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.4 124.55 28.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.65 104.03 9.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.446 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -67.43 135.46 53.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.726 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.17 -35.68 73.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.242 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.15 6.25 50.96 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 123.386 0.428 . . . . 0.0 112.869 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -116.56 161.58 18.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.072 0.436 . . . . 0.0 110.638 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.3 p -106.34 162.5 13.63 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.179 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.95 -41.6 92.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.872 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -61.15 -37.56 83.31 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.268 0.355 . . . . 0.0 110.602 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.19 -16.28 59.64 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.887 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -103.4 12.51 35.22 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 57.45 45.27 20.0 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 110.823 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.91 119.47 46.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -94.47 -177.83 4.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.993 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.94 145.06 54.91 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.114 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 52.8 87.64 0.03 OUTLIER 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -141.06 155.33 46.17 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.75 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -104.17 120.17 40.55 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.675 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.59 158.61 15.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.541 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -111.1 121.01 44.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.05 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 136.46 42.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.7 t -118.48 146.44 23.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 tp -102.74 130.15 49.6 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.66 -0.416 . . . . 0.0 109.987 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -99.65 5.53 45.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.71 -38.52 64.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.547 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -105.04 132.54 51.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.71 -29.13 11.31 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 CA-C-O 118.05 -1.417 . . . . 0.0 110.965 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 60.3 t -117.45 133.52 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 14.9 m -59.99 162.17 5.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.267 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.6 156.07 47.08 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.623 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 27.7 m -149.47 144.72 17.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.949 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.16 147.39 48.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 54.0 t -85.92 127.6 61.57 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -70.69 -16.22 33.63 Favored 'Trans proline' 0 N--CA 1.506 2.237 0 C-N-CA 121.759 1.639 . . . . 0.0 112.821 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 44.8 t -88.89 -50.13 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.927 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 8.1 p -124.02 -12.84 7.43 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.769 -174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.01 78.86 0.11 Allowed Glycine 0 C--N 1.332 0.307 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 79.8 t -137.42 139.48 43.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.401 ' C ' HG13 ' B' ' 211' ' ' ILE . 26.3 m120 -68.11 124.3 23.06 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.401 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.5 mt -152.31 140.86 13.75 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 123.532 0.52 . . . . 0.0 110.928 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.6 155.62 25.6 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.016 1.81 . . . . 0.0 110.686 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.92 -35.69 75.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.299 0.375 . . . . 0.0 110.906 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 76.3 p -70.1 -41.11 74.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.787 0.327 . . . . 0.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -72.98 -12.84 61.09 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.153 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.1 mm -65.63 -42.38 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 O-C-N 122.893 0.121 . . . . 0.0 110.861 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -58.3 -44.94 88.77 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.368 0.417 . . . . 0.0 110.157 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.84 -40.37 61.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.161 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -57.98 -44.0 86.87 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.602 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.0 -39.31 85.34 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.29 -35.43 78.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 55.1 p -80.06 -51.79 8.6 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.474 0.484 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.25 -43.33 70.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.606 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.68 -38.41 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.748 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.0 m -58.23 -36.73 73.61 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -56.07 -45.26 79.36 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.377 0.423 . . . . 0.0 109.998 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -50.46 -52.97 33.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.625 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -72.47 -27.21 62.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.28 -36.47 84.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.506 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.5 -73.72 0.11 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.18 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 40.55 85.54 0.02 OUTLIER 'General case' 0 C--O 1.238 0.48 0 O-C-N 123.518 0.511 . . . . 0.0 111.033 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 35.6 t -140.78 140.68 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.689 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.3 -44.65 78.7 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.86 132.83 37.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 92.4 p -161.67 157.77 24.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.044 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 27.1 m -132.15 116.18 16.68 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.288 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 61.5 t -131.44 134.04 61.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -110.95 94.4 4.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.246 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.98 -40.15 95.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.682 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttt85 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.247 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -87.49 120.21 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.297 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.2 pt -123.41 162.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.222 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.82 143.05 48.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.12 135.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -122.49 116.31 23.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.636 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.3 p -79.33 164.28 24.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.99 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.11 -23.99 67.53 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.522 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -75.55 -16.46 60.26 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -15.23 40.45 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 120.005 -0.331 . . . . 0.0 112.385 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.26 149.69 23.66 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 m -126.76 128.2 46.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.604 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -129.79 130.29 66.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.809 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -94.37 123.33 37.71 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 tp -117.12 133.33 56.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.26 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.16 115.79 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.084 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.3 177.36 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.173 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.89 150.19 71.0 Favored Pre-proline 0 CA--C 1.538 0.518 0 O-C-N 123.264 0.352 . . . . 0.0 110.533 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.41 -31.09 76.19 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.288 1.992 . . . . 0.0 111.92 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -74.58 -21.09 59.67 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.478 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.15 141.0 52.7 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.19 0.306 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -84.71 159.44 20.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.568 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.06 -43.0 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.43 -32.06 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.291 0.369 . . . . 0.0 110.236 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.61 -39.19 70.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.573 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.21 -45.58 98.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.594 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.64 -49.73 72.09 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.372 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.73 63.59 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.75 -41.98 99.46 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.44 . . . . 0.0 109.879 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.54 -42.7 96.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.245 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -52.0 -38.12 55.67 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.237 0.336 . . . . 0.0 110.354 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.54 -34.2 77.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -94.09 -30.55 14.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.14 -14.72 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.97 18.79 71.11 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.2 mt -110.86 134.07 21.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 117.368 0.584 . . . . 0.0 110.85 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.94 146.14 81.27 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.201 1.934 . . . . 0.0 112.703 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.5 -31.32 87.63 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.367 2.045 . . . . 0.0 112.298 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.17 -39.74 93.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.216 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -80.62 -4.08 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -114.37 130.09 56.67 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.936 0.398 . . . . 0.0 111.299 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -124.98 131.18 53.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.279 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.07 133.87 51.75 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.352 0.408 . . . . 0.0 111.177 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.0 139.61 48.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.176 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -139.7 121.23 15.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.911 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.65 23.94 4.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.758 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.13 18.46 64.85 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-O 119.904 -0.386 . . . . 0.0 112.865 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -138.31 150.47 46.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 117.197 0.498 . . . . 0.0 110.648 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -73.06 159.75 33.12 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.947 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.59 120.56 42.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -69.89 120.7 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.413 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.09 -25.23 66.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.822 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.31 7.86 81.1 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 123.354 0.409 . . . . 0.0 112.982 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -116.09 175.82 5.37 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 117.083 0.442 . . . . 0.0 110.485 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.0 162.03 15.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.137 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.97 -41.0 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.363 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 m -57.62 -31.11 65.92 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.17 0.293 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -72.46 -7.38 49.54 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.149 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -109.11 11.07 25.86 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 m120 58.28 38.08 26.06 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.004 0.43 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -92.18 125.85 44.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -106.72 -172.36 2.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.81 133.83 55.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 56.52 91.69 0.03 OUTLIER 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.761 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.4 m -130.95 147.56 52.61 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.679 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -100.7 110.38 22.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.58 151.19 19.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.339 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.21 129.74 48.68 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.047 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.2 tp -109.6 134.92 51.36 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.07 151.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.94 124.97 51.53 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.31 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -94.0 90.99 6.66 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.857 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.7 tp -74.63 142.83 44.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.247 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.52 145.11 29.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.395 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.01 51.99 0.72 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.831 0 CA-C-O 117.944 -1.476 . . . . 0.0 110.94 -179.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.0 t -93.03 129.31 43.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.474 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 18.7 m -69.61 138.3 53.01 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.386 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -129.01 144.1 51.08 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.426 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.71 132.59 54.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -69.29 146.44 52.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.726 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.59 123.33 74.59 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.172 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -72.29 -13.98 28.25 Favored 'Trans proline' 0 N--CA 1.504 2.115 0 C-N-CA 122.017 1.812 . . . . 0.0 112.787 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.1 t -84.15 -52.69 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.016 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 13.0 p -119.42 -6.62 10.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.487 -1.233 . . . . 0.0 112.82 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 57.21 73.36 0.46 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 70.0 t -136.45 139.08 45.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.437 ' C ' HG13 ' B' ' 211' ' ' ILE . 15.1 t-20 -68.96 126.52 30.05 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.437 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.0 mt -151.12 142.15 15.13 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 123.481 0.488 . . . . 0.0 110.98 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.16 159.51 30.13 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.111 1.874 . . . . 0.0 110.862 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -70.32 -28.59 65.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.382 0.426 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 5.4 m -83.49 11.98 6.25 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.253 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -133.69 -6.58 2.84 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.13 -38.81 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 O-C-N 123.013 0.196 . . . . 0.0 111.28 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -59.79 -50.34 74.19 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.387 0.429 . . . . 0.0 110.454 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -67.15 -43.13 83.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.73 -42.84 84.69 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.679 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.76 -38.24 87.26 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.197 0.311 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.79 -34.74 74.96 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.734 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 63.2 m -85.45 -44.5 12.68 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 2.3 t -60.12 -46.42 89.68 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.693 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.5 mt -65.46 -39.83 92.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 28.6 p -58.31 -35.45 71.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -58.99 -45.26 91.06 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -60.1 -32.69 71.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.299 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.14 -18.59 61.27 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.47 0.481 . . . . 0.0 111.348 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -72.94 -37.21 67.23 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.219 0.324 . . . . 0.0 110.831 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.54 -42.69 88.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 123.479 0.487 . . . . 0.0 110.769 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.76 122.32 15.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.649 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 33.7 p -153.21 153.22 32.29 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.927 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 73.8 mt -124.58 128.05 48.31 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.956 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.87 -41.52 97.73 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.538 0.524 . . . . 0.0 110.755 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 15.3 p -112.59 108.68 17.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 90.1 p -169.91 111.53 0.45 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.69 137.14 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.063 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -66.9 -46.02 76.16 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.812 0.695 . . . . 0.0 110.817 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.85 141.83 38.83 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.345 179.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptt? . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -80.76 122.88 27.7 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 124.046 0.841 . . . . 0.0 109.373 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -124.76 156.72 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.096 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -112.69 144.51 42.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.84 135.45 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -127.41 121.13 30.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.041 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.3 p -80.18 167.81 19.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.939 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.83 -23.35 67.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.5 p -75.31 -16.66 60.4 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.412 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.7 -13.28 42.36 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.871 -0.405 . . . . 0.0 112.453 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.47 152.13 18.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 117.162 0.481 . . . . 0.0 109.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -128.85 129.45 45.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.794 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.38 134.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.491 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.5 m -97.55 122.0 40.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.62 137.62 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.091 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -103.29 115.63 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 159.56 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.143 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.25 148.88 37.46 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.535 0.522 . . . . 0.0 110.667 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 -31.43 66.74 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 122.223 1.949 . . . . 0.0 111.893 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 m -71.92 -25.11 61.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.781 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.2 139.67 57.41 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.142 0.277 . . . . 0.0 110.382 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -83.19 159.14 22.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.373 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.82 -42.92 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -59.52 -35.02 73.37 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.347 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.66 -40.42 80.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.546 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.78 -45.49 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.37 -45.94 76.52 Favored 'General case' 0 N--CA 1.462 0.127 0 O-C-N 123.444 0.465 . . . . 0.0 110.287 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.44 -41.6 63.41 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.318 0.386 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.09 -42.19 99.55 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.49 -42.97 98.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.667 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.53 -41.69 31.0 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.197 0.31 . . . . 0.0 110.59 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.02 -34.92 76.01 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.908 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.4 -44.43 16.11 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -96.52 -11.34 25.61 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.0 19.82 74.1 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.036 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -108.79 138.6 20.35 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 117.351 0.575 . . . . 0.0 110.763 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.48 144.32 94.52 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.148 1.899 . . . . 0.0 112.707 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -55.97 -37.85 95.48 Favored 'Trans proline' 0 N--CA 1.5 1.899 0 C-N-CA 122.47 2.114 . . . . 0.0 112.231 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.99 -34.63 77.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.443 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -81.62 -8.17 59.68 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -117.71 130.43 56.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 111.549 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -124.58 127.7 47.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.116 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -100.86 136.24 41.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 111.406 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.3 138.14 55.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.413 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -128.56 128.55 44.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.346 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.94 18.3 1.61 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.856 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.54 1.79 57.69 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.699 -0.501 . . . . 0.0 113.129 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -109.63 142.85 40.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.513 0.656 . . . . 0.0 110.516 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.74 118.33 21.45 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.237 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.05 105.29 2.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.684 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -65.7 134.75 53.88 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.485 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.48 -37.99 76.68 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.355 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.89 7.61 49.6 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 123.363 0.414 . . . . 0.0 112.541 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -113.7 156.41 23.81 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 117.168 0.484 . . . . 0.0 110.696 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.8 p -100.26 161.75 13.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.931 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.08 -41.97 98.72 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.251 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.5 p -60.47 -32.63 71.59 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.263 0.352 . . . . 0.0 110.612 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.88 -13.97 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.719 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -105.29 9.15 34.0 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.9 m120 57.55 54.56 6.34 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.409 0.623 . . . . 0.0 110.7 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.3 mt -106.2 120.92 57.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -98.66 -175.09 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.24 140.1 58.13 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 55.44 81.88 0.11 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -129.66 150.64 50.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.538 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.3 m -103.08 114.78 29.35 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.396 0.435 . . . . 0.0 110.91 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.3 mt -105.46 132.72 51.28 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.049 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -92.46 128.42 38.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.138 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.4 tp -107.02 138.13 43.78 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.547 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -114.06 149.31 16.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.08 128.12 54.09 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -100.93 86.65 3.11 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.846 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.16 151.05 38.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -94.84 129.25 41.9 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.182 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.87 -55.74 29.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.734 0 CA-C-O 117.927 -1.485 . . . . 0.0 110.836 179.827 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.2 t -106.24 127.92 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 25.6 m -128.91 146.41 50.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -127.08 148.31 50.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.29 146.77 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.016 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.63 149.66 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.093 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -84.46 122.68 75.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.57 -15.65 41.66 Favored 'Trans proline' 0 N--CA 1.506 2.229 0 C-N-CA 121.954 1.77 . . . . 0.0 112.838 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.74 -55.29 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.218 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.3 p -114.85 -7.17 12.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.629 -1.168 . . . . 0.0 112.889 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.72 1.54 Allowed Glycine 0 C--N 1.336 0.565 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 76.1 t -135.04 137.72 50.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.404 ' C ' HG13 ' B' ' 211' ' ' ILE . 27.3 t-20 -69.19 125.69 27.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.404 HG13 ' C ' ' B' ' 210' ' ' ASN . 69.6 mt -152.58 139.76 12.78 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 123.441 0.463 . . . . 0.0 110.846 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -54.88 152.76 27.65 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.015 1.81 . . . . 0.0 110.608 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -58.04 -39.67 78.97 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.275 0.359 . . . . 0.0 111.063 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 77.3 p -69.77 -37.86 76.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.307 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -72.59 -13.35 61.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.132 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.6 mm -66.4 -43.01 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 119.786 -0.15 . . . . 0.0 110.763 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -56.45 -50.13 72.57 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.42 0.45 . . . . 0.0 110.448 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.05 -42.41 76.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.112 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.15 -35.97 74.44 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.931 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.88 -38.68 86.5 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.152 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.03 -34.7 78.6 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.934 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 86.1 p -79.88 -41.53 26.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.7 -45.21 83.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.94 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.96 -39.2 93.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 43.9 m -58.15 -36.67 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -58.61 -49.55 77.09 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -55.03 -31.87 61.42 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.656 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -79.28 -18.7 52.18 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -79.54 -44.1 21.79 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 110.808 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -62.15 -39.14 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.857 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -54.19 130.76 39.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 13.1 t 54.42 88.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 16.2 mt -119.83 21.42 11.95 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.553 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -62.4 -44.69 95.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.274 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 1.6 t -146.98 -41.48 0.19 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.426 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 30.1 t -59.03 134.39 56.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 10.9 p -141.15 141.75 30.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.295 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -113.19 111.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.327 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -63.45 -42.53 98.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.603 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -73.98 126.07 29.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -122.37 162.65 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.323 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -121.8 141.52 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.56 133.05 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -124.49 122.66 38.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.608 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.8 p -79.77 163.58 24.34 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.912 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -22.99 67.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.532 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.5 p -77.02 -18.47 58.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.306 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.53 -8.72 26.26 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 119.898 -0.39 . . . . 0.0 112.363 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.26 150.52 34.47 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.172 0.486 . . . . 0.0 109.804 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -132.29 130.0 40.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -134.22 131.72 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.712 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.8 m -94.95 124.15 38.83 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.8 tp -122.04 138.14 54.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.343 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -102.07 119.99 39.69 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.994 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.88 -168.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.278 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.43 149.01 68.35 Favored Pre-proline 0 CA--C 1.536 0.435 0 O-C-N 123.301 0.376 . . . . 0.0 110.624 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.28 -21.11 72.12 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 122.217 1.945 . . . . 0.0 111.998 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -84.9 -16.4 41.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.48 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -75.09 147.36 40.66 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.192 0.307 . . . . 0.0 110.508 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 p -85.7 155.78 20.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 23' ' ' ILE . 43.8 mm -59.82 -43.51 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.854 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.37 -37.04 67.0 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.348 0.405 . . . . 0.0 110.397 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -67.78 -40.59 83.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.481 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.01 -46.14 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.537 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.83 -45.85 82.05 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.393 0.433 . . . . 0.0 110.166 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.77 -41.91 64.51 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.302 0.376 . . . . 0.0 110.818 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.09 -42.11 98.88 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.88 -42.4 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.473 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -47.96 -42.78 28.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.04 -35.46 78.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.077 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -80.55 -43.87 19.98 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -98.43 -9.51 25.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.14 22.78 74.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -112.78 132.94 22.05 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 117.273 0.537 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.8 148.21 67.69 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.202 1.935 . . . . 0.0 112.775 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.9 -32.59 76.91 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.4 2.067 . . . . 0.0 112.243 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -65.02 -35.62 81.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.558 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -82.96 0.23 45.53 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -120.63 131.1 54.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 111.312 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -123.55 124.57 43.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.018 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.2 132.43 48.13 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.269 0.356 . . . . 0.0 111.322 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -124.53 135.22 64.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.118 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -126.62 132.36 51.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.161 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.04 2.87 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.574 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.48 14.91 64.97 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 119.918 -0.379 . . . . 0.0 112.919 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.28 144.6 48.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.243 0.521 . . . . 0.0 110.54 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -79.72 124.82 28.93 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.06 105.34 12.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.358 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -67.65 136.27 54.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.768 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.74 -38.9 86.72 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.442 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 4.6 54.65 Favored Glycine 0 CA--C 1.533 1.205 0 O-C-N 123.482 0.489 . . . . 0.0 112.727 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -112.9 158.58 20.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 117.093 0.447 . . . . 0.0 110.517 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -102.29 160.32 14.63 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.21 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.87 -41.2 95.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.3 p -60.83 -32.0 71.39 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.211 0.319 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.32 -17.35 63.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.822 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -102.2 11.18 38.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 57.79 52.63 7.86 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.321 0.581 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -107.66 125.95 64.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -103.54 -174.5 2.56 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.638 0.586 . . . . 0.0 110.99 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.11 144.22 55.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 55.45 87.27 0.05 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.8 t -139.33 151.87 46.74 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.672 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.0 m -103.0 117.85 35.5 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.263 0.352 . . . . 0.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.7 mt -102.01 145.11 29.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.344 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -96.7 121.99 39.15 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.359 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 tp -101.53 134.59 44.4 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 52.3 t -127.3 149.42 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.0 tp -106.09 130.2 54.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -102.95 90.35 3.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.11 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 148.5 42.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.232 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -77.67 147.36 35.55 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.168 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.81 173.23 16.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 118.058 -1.412 . . . . 0.0 110.864 -179.766 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.14 139.93 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.865 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 21.9 p -76.72 165.54 24.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.027 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -133.01 148.22 52.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.527 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.18 135.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -70.42 150.61 46.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.892 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.5 t -91.1 124.5 61.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.208 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -74.63 -10.26 21.75 Favored 'Trans proline' 0 N--CA 1.507 2.296 0 C-N-CA 121.999 1.799 . . . . 0.0 112.715 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 38.0 t -89.37 -49.3 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.652 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 11.4 p -123.77 -13.97 7.32 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.726 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 61.57 75.97 0.27 Allowed Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 74.6 t -136.34 138.93 46.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -68.38 124.62 24.02 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 56.8 mt -151.23 141.67 14.72 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.777 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -55.95 156.08 20.98 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.03 1.82 . . . . 0.0 110.793 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.98 -17.0 64.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.399 0.437 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 29.3 m -86.52 -43.66 12.56 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.277 0.36 . . . . 0.0 111.238 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -75.64 -6.5 50.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 9.1 tp -65.67 -39.12 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 O-C-N 123.194 0.309 . . . . 0.0 111.124 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -60.62 -53.31 58.96 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.441 0.463 . . . . 0.0 110.364 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.62 -43.25 94.35 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.98 -40.75 77.12 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.257 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.58 -37.57 86.73 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.57 -36.67 84.56 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.8 p -78.64 -52.92 7.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.12 -43.02 70.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.764 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.0 mt -71.12 -34.26 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.628 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 43.6 t -58.83 -41.71 87.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.623 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -57.3 -42.5 81.88 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.77 -38.16 81.05 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.931 0.769 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -66.88 -21.24 66.01 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.496 0.498 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -82.55 -37.47 25.09 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 123.164 0.29 . . . . 0.0 110.852 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.65 -41.35 90.36 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -58.99 -67.5 0.36 Allowed 'General case' 0 C--O 1.232 0.184 0 O-C-N 123.155 0.284 . . . . 0.0 110.546 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 42.4 t -56.8 143.87 35.25 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.529 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 78.5 mt 55.14 97.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.675 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -60.91 137.5 58.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.746 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 37.8 m -100.8 164.08 12.02 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.014 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 22.8 p -69.24 159.76 32.44 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.163 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.09 134.8 29.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.88 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -122.07 137.23 54.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.425 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -109.28 143.78 38.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.222 -0.344 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.399 179.825 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.55 116.65 20.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.119 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.1 pt -121.21 145.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.109 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -105.61 144.18 32.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.592 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.9 133.78 66.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -119.37 116.52 26.35 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.837 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -79.45 164.35 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.751 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.55 -25.13 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.356 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -75.46 -14.8 60.46 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.521 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.18 -9.38 42.59 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.955 -0.358 . . . . 0.0 112.426 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.03 152.85 39.13 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 117.129 0.464 . . . . 0.0 109.772 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -130.79 132.21 45.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.33 137.08 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.851 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.93 123.67 43.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 tp -123.15 143.92 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.269 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -106.61 125.34 50.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.934 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.1 169.11 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.277 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -117.87 147.99 42.36 Favored Pre-proline 0 CA--C 1.537 0.461 0 O-C-N 123.371 0.419 . . . . 0.0 110.578 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.95 -28.23 76.95 Favored 'Trans proline' 0 N--CA 1.503 2.07 0 C-N-CA 122.196 1.931 . . . . 0.0 111.927 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -84.71 -13.79 50.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.566 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.93 140.84 44.01 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.232 0.332 . . . . 0.0 110.311 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.0 p -84.59 159.08 20.7 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.452 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -61.46 -42.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.702 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.367 0.417 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.02 -40.14 75.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.5 -44.78 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.47 -39.58 67.61 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.306 0.379 . . . . 0.0 110.771 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.59 -42.12 99.37 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.99 -43.34 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.52 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -48.57 -41.11 29.57 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.352 0.407 . . . . 0.0 110.746 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.68 -36.54 80.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.86 -41.84 18.5 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -97.05 -10.89 25.2 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 21.11 71.61 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.01 135.51 20.84 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 117.258 0.529 . . . . 0.0 110.978 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.36 146.45 61.81 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.122 1.881 . . . . 0.0 112.754 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.2 -32.63 62.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.328 2.019 . . . . 0.0 112.362 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.26 -35.94 82.58 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.434 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -79.84 -1.84 40.76 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -116.66 128.59 55.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 111.418 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -121.04 117.1 26.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.905 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 mt -92.87 139.24 30.75 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.325 0.391 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.9 mt -130.39 140.63 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.417 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -143.02 119.79 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.21 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.73 31.47 2.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.834 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.31 11.93 84.83 Favored Glycine 0 CA--C 1.537 1.442 0 CA-C-O 119.844 -0.42 . . . . 0.0 112.926 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -133.83 148.42 51.31 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.303 0.552 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.93 147.77 36.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.15 119.44 32.36 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.104 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -69.87 126.92 31.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.57 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -60.69 -36.2 78.19 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.477 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.79 6.75 60.99 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 123.484 0.49 . . . . 0.0 112.694 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -114.37 161.59 17.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 117.035 0.418 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.2 p -101.41 161.53 13.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.107 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.8 -41.65 96.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.173 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m -58.88 -36.64 74.99 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.276 0.36 . . . . 0.0 110.682 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.83 -16.04 63.46 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.842 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -103.96 8.91 36.82 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 55.38 53.09 10.34 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.248 0.547 . . . . 0.0 110.651 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.63 120.43 55.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -96.71 -174.94 3.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.085 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.97 147.34 43.12 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 60.44 55.12 3.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.988 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.6 m -109.95 144.81 37.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.671 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.8 m -103.54 119.96 39.93 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.372 0.42 . . . . 0.0 110.749 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.22 169.27 9.02 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.342 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -119.92 132.71 55.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.193 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -110.82 133.29 53.48 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.1 151.3 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.9 tp -113.17 126.73 55.76 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.235 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -102.25 91.8 4.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.0 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.32 148.19 50.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.33 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.39 -42.58 74.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.69 -67.15 0.82 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.862 -179.781 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.42 131.28 69.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 72.0 p -101.32 166.8 10.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -133.6 148.97 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.554 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.46 136.49 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.324 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.68 149.82 46.59 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.86 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.3 t -88.4 123.83 67.47 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.376 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -73.0 -12.57 26.03 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 C-N-CA 121.917 1.745 . . . . 0.0 112.712 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.93 -49.05 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.734 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 8.0 p -126.61 -13.78 5.88 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.733 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.04 81.0 0.08 OUTLIER Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 54.5 t -136.26 140.71 43.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.53 118.35 10.72 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 55.4 mt -149.22 141.52 15.17 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.659 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.74 155.83 25.43 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.07 1.846 . . . . 0.0 110.861 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -68.29 -16.44 63.96 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.0 p -86.02 -43.69 12.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -78.93 -7.48 58.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.862 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.9 tp -63.75 -38.05 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 123.089 0.243 . . . . 0.0 111.136 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.58 -48.7 80.6 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.548 0.53 . . . . 0.0 110.311 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.36 -43.92 84.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.844 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -57.73 -43.81 85.59 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.687 0.617 . . . . 0.0 110.674 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.09 -38.28 88.27 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.29 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.0 73.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 57.8 m -84.77 -44.93 12.87 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.231 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.6 t -60.05 -41.24 91.88 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.015 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.06 -40.55 96.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.529 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 47.7 m -62.53 -34.87 77.76 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.434 0.459 . . . . 0.0 110.74 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.3 -48.26 74.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.056 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -58.94 -40.62 85.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.677 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.83 -21.16 62.48 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.598 0.561 . . . . 0.0 111.21 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.6 -42.34 22.42 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 123.098 0.249 . . . . 0.0 110.867 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.93 -43.72 98.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -56.67 -63.27 1.25 Allowed 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.229 0.33 . . . . 0.0 110.721 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 89.0 p -78.85 171.56 15.01 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.755 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.9 tt -145.74 129.24 16.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -110.58 131.08 55.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 77.4 p -68.59 -37.24 79.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 33.8 t -137.6 150.25 47.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.27 135.69 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.843 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -113.84 151.43 32.13 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.418 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.66 -41.4 99.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.274 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -87.08 122.49 30.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.294 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -125.48 164.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.078 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -120.83 143.04 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.527 0.517 . . . . 0.0 109.68 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.75 134.62 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -125.12 119.82 29.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.673 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.5 p -79.71 165.69 22.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.893 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.12 -22.81 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 p -76.43 -19.56 57.95 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.473 0.483 . . . . 0.0 111.631 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 -9.74 28.41 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.833 -0.426 . . . . 0.0 112.418 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.2 150.19 35.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.126 0.463 . . . . 0.0 109.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -130.41 129.37 42.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.78 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 tt -133.0 133.83 58.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -96.52 121.68 38.6 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 tp -116.89 133.39 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.365 -177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -96.47 116.93 29.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.131 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.34 -174.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.149 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.36 153.32 74.58 Favored Pre-proline 0 CA--C 1.538 0.505 0 O-C-N 123.245 0.34 . . . . 0.0 110.589 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.35 -32.03 79.67 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 C-N-CA 122.224 1.95 . . . . 0.0 111.938 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -72.68 -26.74 61.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.562 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.4 139.19 58.52 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.717 0.294 . . . . 0.0 110.376 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.5 p -84.58 158.19 20.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.509 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.08 -42.52 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.601 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -60.72 -34.55 74.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.766 0.317 . . . . 0.0 110.354 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.18 -39.71 86.45 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.512 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.82 -44.38 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.585 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.26 -47.93 74.73 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.274 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.69 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.262 0.351 . . . . 0.0 110.678 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -41.69 99.51 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.71 -42.56 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.558 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -50.47 -41.4 53.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.0 -37.08 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -80.04 -44.68 19.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -98.2 -6.91 30.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.99 22.26 68.53 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.9 mt -109.02 134.11 20.5 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 117.294 0.547 . . . . 0.0 110.801 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -55.97 146.56 68.14 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.796 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.23 -30.19 54.91 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 122.271 1.981 . . . . 0.0 112.404 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.27 -34.66 78.88 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.403 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.98 -6.03 59.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.887 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -109.54 126.35 53.47 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 111.424 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -121.79 118.98 30.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.889 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -96.1 136.62 36.32 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.402 0.439 . . . . 0.0 111.48 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.0 mt -127.88 140.19 49.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.102 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -142.07 120.86 12.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.136 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.15 28.83 3.9 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.78 10.98 83.46 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-O 119.844 -0.42 . . . . 0.0 113.001 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -134.54 148.81 50.57 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.197 0.499 . . . . 0.0 110.474 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -77.39 150.09 35.12 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.2 127.48 36.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.218 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -75.13 125.67 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.743 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.03 -36.57 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.549 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.72 10.69 50.28 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 123.566 0.541 . . . . 0.0 112.845 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -118.29 165.81 13.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 117.086 0.443 . . . . 0.0 110.669 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -106.76 162.62 13.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.87 -41.63 98.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.005 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -59.11 -33.02 70.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.862 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.59 -15.37 63.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.655 0.597 . . . . 0.0 111.769 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -104.53 12.75 32.81 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 56.72 40.36 29.21 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.074 0.464 . . . . 0.0 110.752 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.76 122.14 44.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -97.47 -177.08 3.69 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.097 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -65.81 142.49 57.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 55.5 75.87 0.3 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -121.04 150.05 41.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.615 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -102.14 112.58 25.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.49 145.01 27.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -97.08 123.52 40.85 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 tp -103.77 134.15 47.56 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.22 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.73 150.08 29.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -114.84 125.13 53.32 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.26 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -98.57 92.1 5.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.107 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -72.13 150.5 43.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -75.86 138.81 41.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.494 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.11 48.32 4.4 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.985 -1.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 51.8 t -98.84 126.09 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 8.0 m -73.33 143.61 46.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.442 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -131.6 146.73 52.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 26.8 m -142.01 137.96 30.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.105 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.04 153.18 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.0 t -87.23 121.18 71.5 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.309 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -68.06 -16.0 44.15 Favored 'Trans proline' 0 N--CA 1.509 2.428 0 C-N-CA 122.489 2.126 . . . . 0.0 112.829 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.12 -52.23 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.24 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 10.3 p -121.43 -12.45 8.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.677 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 62.04 78.34 0.17 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 59.5 t -136.39 139.43 45.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' ASN . . . . . 0.4 ' C ' HG13 ' B' ' 211' ' ' ILE . 6.3 t-20 -68.71 121.36 16.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ILE . . . . . 0.4 HG13 ' C ' ' B' ' 210' ' ' ASN . 68.3 mt -150.97 139.59 13.06 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -54.37 159.32 8.38 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.877 1.718 . . . . 0.0 111.067 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -34.71 78.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 62.0 p -75.42 -41.73 55.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -72.23 -19.78 61.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.007 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.62 -31.99 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 123.249 0.343 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.05 -49.15 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.502 0.501 . . . . 0.0 110.107 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.5 -44.35 78.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.145 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -58.76 -39.33 80.66 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.672 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.09 -40.43 89.6 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.187 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.32 -34.92 77.55 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.537 0.523 . . . . 0.0 110.617 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 3.6 t -76.31 -46.95 25.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -43.5 92.67 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.918 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.29 -38.57 91.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.742 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 37.1 m -57.55 -33.38 68.06 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.502 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -56.21 -46.39 79.49 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -66.8 -36.8 83.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.888 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.74 -28.73 67.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 123.572 0.545 . . . . 0.0 111.004 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.49 -47.31 56.27 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.325 0.391 . . . . 0.0 111.025 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.55 -68.45 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.651 0.594 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 41.42 43.7 2.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.902 0.858 . . . . 0.0 110.717 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 21.4 p -168.54 -34.84 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.035 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 65.4 mt -101.03 119.97 39.52 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.637 0.585 . . . . 0.0 109.886 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -142.78 -64.73 0.4 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 78.5 p -73.48 -36.7 65.86 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.36 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 23.3 p -105.28 50.38 0.78 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.059 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.67 -34.65 63.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.952 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -135.89 143.18 44.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.261 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -81.11 132.35 35.35 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.702 0.626 . . . . 0.0 110.582 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.26 179.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -79.81 121.97 26.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.565 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.7 pt -124.73 163.79 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.846 . . . . 0.0 108.993 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -121.04 145.91 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.75 136.77 59.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -125.61 120.85 31.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.403 HG22 HD23 ' A' ' 69' ' ' LEU . 71.8 p -80.02 167.97 19.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.072 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD11 HG22 ' A' ' 70' ' ' VAL . 69.3 mt -65.43 -25.25 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.43 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.6 p -74.63 -20.8 59.76 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.74 -14.72 24.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.919 -0.378 . . . . 0.0 112.428 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.5 151.83 15.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.038 0.419 . . . . 0.0 109.877 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -129.18 130.01 45.81 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.795 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -130.65 131.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.798 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.2 m -95.2 123.27 38.61 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 tp -121.9 136.7 54.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.246 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.76 115.2 30.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.019 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.39 153.31 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -98.37 148.0 33.91 Favored Pre-proline 0 CA--C 1.539 0.523 0 O-C-N 123.492 0.495 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -33.12 80.54 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.17 1.913 . . . . 0.0 111.9 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.7 p -70.58 -19.84 62.83 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.569 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.78 136.32 47.05 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -79.77 160.85 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.521 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.6 mm -60.95 -42.9 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.55 -33.95 68.65 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.335 0.397 . . . . 0.0 110.205 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -68.3 -39.16 82.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.545 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.71 -43.78 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.45 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -56.05 -48.66 75.61 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.1 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.87 -38.21 67.21 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.344 0.403 . . . . 0.0 110.621 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.29 -41.13 98.95 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.08 -43.02 97.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.457 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -46.35 -46.02 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.292 0.37 . . . . 0.0 110.804 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.11 -35.3 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.095 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.75 -45.1 12.72 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -96.9 -11.94 24.09 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 21.45 68.73 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -108.44 134.82 20.1 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 117.366 0.583 . . . . 0.0 110.784 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.38 138.86 46.47 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.529 2.153 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.05 -33.85 91.08 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.347 2.031 . . . . 0.0 112.229 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.31 -35.54 80.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.354 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' O ' HD12 ' A' ' 71' ' ' LEU . 35.6 tt0 -82.74 0.62 42.72 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 123.283 0.364 . . . . 0.0 111.87 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -116.34 130.12 56.61 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.935 0.398 . . . . 0.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -126.83 135.3 50.82 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.209 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -109.58 139.87 44.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.273 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.9 mt -126.69 138.28 55.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.358 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -135.19 121.63 20.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.944 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 17.6 10.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.773 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 102.53 -19.61 47.25 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 120.079 -0.29 . . . . 0.0 112.971 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.21 149.99 24.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.117 0.458 . . . . 0.0 110.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -75.06 169.33 18.22 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.302 0.376 . . . . 0.0 110.941 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.33 123.89 50.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.184 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -75.43 125.52 29.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.423 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.36 -35.41 62.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.47 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.28 11.41 44.06 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 112.767 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -116.64 162.77 17.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.107 0.453 . . . . 0.0 110.712 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.1 p -107.94 161.95 14.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.027 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -40.34 95.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.983 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.0 p -61.48 -31.46 71.44 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.249 0.343 . . . . 0.0 110.915 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.17 -20.14 64.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.883 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -97.47 9.77 41.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.7 t30 57.5 48.69 14.03 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.376 0.608 . . . . 0.0 110.671 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -101.59 123.22 54.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -97.66 -176.28 3.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -63.72 139.67 58.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.021 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 55.19 83.65 0.08 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.049 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -128.66 150.1 50.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.381 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.3 m -102.28 115.58 30.86 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.003 0.43 . . . . 0.0 110.869 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 mt -102.55 152.69 20.87 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.275 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -102.07 128.13 48.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.392 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 HG22 ' A' ' 7' ' ' THR . 16.4 tp -110.75 132.97 53.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.074 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG22 HD11 ' A' ' 8' ' ' LEU . 60.1 t -127.01 149.52 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 40' ' ' GLN . 13.8 tp -109.84 129.84 55.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.194 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -106.92 89.57 3.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.764 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -47.03 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.515 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -144.41 145.62 32.03 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.43 8.18 72.71 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.939 0 CA-C-O 118.105 -1.386 . . . . 0.0 110.647 -179.677 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.97 126.48 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.526 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 6.0 t -148.63 160.12 43.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.327 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -135.54 150.21 49.67 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.616 0.572 . . . . 0.0 110.428 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.44 HG11 ' OE2' ' B' ' 213' ' ' GLU . 30.9 m -146.3 142.11 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.148 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -75.65 156.2 35.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.792 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.2 124.41 63.23 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.093 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.79 -11.19 25.69 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 121.919 1.746 . . . . 0.0 112.707 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.444 HG13 ' OE1' ' B' ' 227' ' ' GLU . 29.7 t -89.9 -49.26 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.696 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.3 p -125.36 -16.15 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.67 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.98 0.29 Allowed Glycine 0 C--N 1.333 0.388 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.508 HG23 ' SG ' ' B' ' 207' ' ' CYS . 71.7 t -135.55 138.45 48.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.429 ' C ' HG13 ' B' ' 211' ' ' ILE . 12.7 t-20 -69.04 119.31 13.14 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.429 HG13 ' C ' ' B' ' 210' ' ' ASN . 62.5 mt -151.03 140.11 13.48 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.31 161.0 12.21 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.021 1.814 . . . . 0.0 110.991 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.638 ' O ' HG22 ' B' ' 216' ' ' ILE . 41.3 tp10 -69.84 -18.27 63.43 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 39.9 p -85.93 -44.26 12.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.963 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -78.41 -7.59 57.53 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.035 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.638 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.1 tp -65.57 -36.97 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 O-C-N 122.984 0.177 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -58.36 -50.56 73.23 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.446 0.466 . . . . 0.0 110.554 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -42.65 94.72 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -57.87 -42.67 85.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.495 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.02 -37.59 83.1 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.276 0.36 . . . . 0.0 110.099 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.76 -34.91 76.69 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.811 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 52.2 p -83.21 -48.11 10.84 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.306 0.379 . . . . 0.0 111.207 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.93 -40.59 70.07 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.77 -34.71 69.68 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 73.5 m -58.48 -40.34 82.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -60.09 -43.17 95.71 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.411 0.445 . . . . 0.0 110.267 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 227' ' ' GLU . . . . . 0.444 ' OE1' HG13 ' B' ' 206' ' ' VAL . 93.8 mt-10 -55.67 -37.97 69.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.564 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -76.57 -19.12 58.22 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.12 -44.7 25.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.95 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.56 -39.39 94.28 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.275 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.9 151.5 44.66 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.409 0.443 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 9.5 m -58.4 147.9 29.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 73.3 mt -95.34 129.16 42.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -131.11 142.16 50.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.664 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 57.0 m -131.41 125.47 32.65 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 13.9 t -62.41 -42.7 99.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 237' ' ' VAL . . . . . 0.447 HG12 ' H ' ' B' ' 239' ' ' LYS . 52.5 t -114.66 136.7 50.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.804 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -61.86 -40.2 94.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.618 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 239' ' ' LYS . . . . . 0.447 ' H ' HG12 ' B' ' 237' ' ' VAL . 98.6 mttt -58.97 -43.84 91.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.478 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.692 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -87.97 120.72 29.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.388 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.99 163.28 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.27 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.462 ' CE2' HG23 ' A' ' 14' ' ' THR . 92.9 m-85 -119.97 144.92 47.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 67' ' ' LEU . 48.3 t -127.44 137.48 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.54 120.02 25.93 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.3 p -79.91 166.29 21.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.987 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 70' ' ' VAL . 73.5 mt -60.92 -22.09 64.02 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.465 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.7 p -75.75 -14.5 60.32 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.5 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.13 -14.57 55.36 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.972 -0.349 . . . . 0.0 112.348 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.84 151.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -129.07 128.89 44.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 HD11 ' CD ' ' A' ' 33' ' ' LYS . 13.8 tt -130.44 130.96 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.717 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.462 HG23 ' CE2' ' A' ' 4' ' ' PHE . 19.6 m -94.72 120.77 35.47 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -115.66 138.59 50.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.354 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.4 120.05 39.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.946 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -149.8 -178.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.983 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -131.88 155.55 81.24 Favored Pre-proline 0 CA--C 1.538 0.483 0 O-C-N 123.263 0.352 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.74 -33.0 93.05 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.208 1.939 . . . . 0.0 111.97 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 p -70.52 -26.88 63.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.779 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.3 137.1 56.69 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.531 0.205 . . . . 0.0 110.549 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -83.06 161.31 21.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.398 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.53 -43.54 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.521 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.25 -34.82 64.36 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.167 0.292 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.94 -40.58 71.95 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.659 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.38 -44.98 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -56.94 -50.27 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.322 0.389 . . . . 0.0 110.503 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.29 60.38 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.143 0.277 . . . . 0.0 110.77 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.3 -43.16 99.46 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.973 0.416 . . . . 0.0 109.904 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.222 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -48.95 -36.91 18.52 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.339 0.399 . . . . 0.0 110.578 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.47 -32.61 72.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.882 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' CD ' HD11 ' A' ' 13' ' ' ILE . 98.4 mttt -93.54 -27.88 16.39 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -109.69 -13.43 14.51 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.92 22.28 73.86 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.44 134.59 21.15 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 117.343 0.571 . . . . 0.0 110.774 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.21 148.62 88.94 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.068 1.845 . . . . 0.0 112.628 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.23 -37.07 97.3 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.373 2.049 . . . . 0.0 112.568 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.0 -43.25 91.45 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.462 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.73 -8.98 59.25 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.253 0.346 . . . . 0.0 111.918 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB3' HD11 ' A' ' 69' ' ' LEU . 32.3 mt-30 -110.51 129.48 55.78 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 111.759 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -124.63 129.16 50.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.053 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -105.28 134.41 48.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.448 HD11 HD22 ' B' ' 220' ' ' LEU . 80.0 mt -124.91 137.03 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.156 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 67' ' ' LEU . 70.0 t80 -135.99 126.42 26.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 25.52 13.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.667 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.73 16.85 67.13 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.887 -0.396 . . . . 0.0 112.827 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -138.77 151.83 47.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.143 0.472 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -80.25 153.76 28.3 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.1 mt -100.41 122.28 42.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.165 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.62 125.74 25.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.337 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.82 -37.09 70.72 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.567 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.76 16.67 35.19 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 123.577 0.548 . . . . 0.0 112.943 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -119.99 168.21 11.39 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.121 0.46 . . . . 0.0 110.775 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.7 p -105.26 162.21 13.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.096 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.33 -41.57 98.67 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.212 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -62.38 -32.96 73.84 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.32 0.388 . . . . 0.0 111.078 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.62 -16.43 60.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.651 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.8 15.62 26.46 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.59 44.95 16.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.25 0.548 . . . . 0.0 110.711 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.9 mt -97.51 124.39 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -102.89 -173.92 2.43 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.26 141.2 58.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 54.42 84.98 0.06 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.6 m -129.71 151.12 50.65 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.489 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 m -102.94 111.45 23.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.972 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 45' ' ' PHE . 49.4 mt -101.65 132.61 47.25 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -92.1 132.53 36.52 Favored 'General case' 0 CA--C 1.519 -0.233 0 O-C-N 123.577 0.548 . . . . 0.0 110.064 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 41' ' ' GLN . 19.7 tp -110.82 141.4 44.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.385 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG22 HD11 ' A' ' 8' ' ' LEU . 62.0 t -123.35 152.13 28.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 tp -109.34 125.06 51.95 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.213 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -98.56 89.62 4.46 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.91 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -80.87 151.17 28.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.43 136.16 33.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.192 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.88 -67.22 1.27 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.788 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.942 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.0 131.41 35.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.532 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 200' ' ' THR . . . . . 0.458 HG21 ' OE1' ' B' ' 213' ' ' GLU . 29.3 m -114.75 138.87 50.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.98 148.36 52.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 21.5 m -146.89 142.24 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.73 152.47 37.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.758 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.8 t -88.23 125.13 64.93 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 119.223 -0.418 . . . . 0.0 109.983 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.28 -12.47 27.63 Favored 'Trans proline' 0 N--CA 1.502 2.021 0 C-N-CA 121.86 1.706 . . . . 0.0 112.676 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.3 t -87.67 -52.39 11.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.828 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.408 ' SG ' HG23 ' B' ' 209' ' ' VAL . 14.0 p -117.94 -11.88 10.2 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.769 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.31 69.77 1.26 Allowed Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.408 HG23 ' SG ' ' B' ' 207' ' ' CYS . 76.0 t -135.65 137.38 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.436 ' C ' HG13 ' B' ' 211' ' ' ILE . 7.4 t-20 -68.81 124.78 24.61 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.436 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.7 mt -152.01 137.42 11.02 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.033 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.33 159.33 13.25 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.882 1.721 . . . . 0.0 110.97 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.458 ' OE1' HG21 ' B' ' 200' ' ' THR . 91.0 mt-10 -60.91 -39.79 90.66 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.273 0.358 . . . . 0.0 111.176 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 20.1 m -67.34 -39.81 85.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.238 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -72.95 -15.69 61.55 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.282 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.73 -43.44 98.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -53.01 -56.36 16.68 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.758 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.32 -41.33 94.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.432 ' CG ' HD13 ' B' ' 211' ' ' ILE . 86.7 t60 -57.3 -41.69 80.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.448 HD22 HD11 ' A' ' 44' ' ' ILE . 28.1 mt -61.43 -37.75 84.65 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.58 -35.88 79.07 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.639 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 88.8 p -82.26 -52.26 7.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.939 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.31 -41.69 63.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.67 -31.28 64.95 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 6.1 t -60.81 -39.93 90.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.727 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.14 -44.33 74.99 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.17 -38.8 58.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.17 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.25 -24.47 63.07 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.457 0.473 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.78 -44.98 25.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.509 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.1 38.38 0.89 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.968 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -77.28 54.95 1.16 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.321 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.05 34.84 1.02 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.367 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 64.3 mt -120.09 132.18 55.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.11 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -96.82 137.92 35.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.0 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 17.7 m -74.32 143.62 44.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 14.2 m -77.15 149.9 35.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 51.1 t -72.09 137.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.85 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.62 142.49 58.38 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -98.37 146.36 25.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.583 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.123 -179.743 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttp . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.212 0.529 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -85.31 121.11 27.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.641 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 pt -124.8 162.28 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.27 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -119.29 141.1 49.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' HB ' HG23 ' A' ' 13' ' ' ILE . 58.8 t -118.84 134.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -122.38 117.16 25.38 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 69' ' ' LEU . 71.6 p -79.62 163.95 24.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.611 HD11 HG22 ' A' ' 70' ' ' VAL . 81.4 mt -63.67 -24.51 67.81 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.532 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -76.65 -16.32 59.58 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.531 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.94 -11.94 34.59 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.473 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.4 150.55 22.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 117.139 0.469 . . . . 0.0 109.913 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -131.18 128.41 39.94 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.688 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HG23 ' HB ' ' A' ' 5' ' ' VAL . 11.6 tt -132.69 129.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.4 m -92.05 122.5 34.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -114.64 133.13 56.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.377 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -96.3 112.8 24.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.669 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.3 m -144.58 176.6 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.763 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -119.66 151.55 52.11 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.265 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.81 -21.14 69.39 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.075 1.85 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -83.05 -16.75 45.77 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.491 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.43 145.43 49.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.515 0.198 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 55' ' ' THR . 69.3 p -80.87 156.13 26.22 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.369 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD12 HD13 ' A' ' 50' ' ' LEU . 38.8 mm -60.06 -43.18 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.4 -35.74 70.42 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.254 0.346 . . . . 0.0 110.22 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 HD21 ' HA ' ' A' ' 25' ' ' ASN . 5.9 m120 -67.48 -39.17 85.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.696 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.2 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.416 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -55.85 -47.32 77.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.437 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.62 67.33 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.308 0.38 . . . . 0.0 110.797 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' HG12 ' A' ' 17' ' ' VAL . 98.3 mttt -62.2 -42.54 99.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.37 -43.23 98.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.333 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -47.23 -40.17 15.77 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.757 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.21 -37.95 81.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.301 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.67 -36.85 25.6 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -102.29 -9.95 19.94 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.0 22.84 67.15 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 119.784 -0.454 . . . . 0.0 112.213 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -111.62 136.58 21.07 Favored Pre-proline 0 CA--C 1.552 1.025 0 CA-C-N 117.365 0.582 . . . . 0.0 110.558 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.4 146.59 96.4 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 122.253 1.969 . . . . 0.0 112.607 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.02 -35.78 99.06 Favored 'Trans proline' 0 N--CA 1.504 2.126 0 C-N-CA 122.362 2.041 . . . . 0.0 112.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.03 -36.42 83.49 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.473 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -83.03 -8.58 59.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.388 0.43 . . . . 0.0 111.607 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -111.31 128.5 55.97 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.75 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -125.58 132.06 52.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.452 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -108.99 139.03 44.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.917 0.389 . . . . 0.0 111.495 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.63 HD11 HD22 ' B' ' 220' ' ' LEU . 98.5 mt -127.42 145.16 35.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.242 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 72.4 t80 -148.3 119.0 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.085 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 72.01 25.27 3.07 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.591 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.25 82.18 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.92 -0.378 . . . . 0.0 113.113 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -128.13 147.07 50.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.15 0.475 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -80.11 149.0 30.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.466 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD13 HD12 ' A' ' 23' ' ' ILE . 78.1 mt -85.63 124.76 32.54 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.173 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -76.99 130.15 37.08 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.643 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -37.35 80.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.342 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.88 7.06 57.03 Favored Glycine 0 CA--C 1.536 1.362 0 O-C-N 123.516 0.51 . . . . 0.0 112.663 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -120.1 163.08 18.22 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.299 0.55 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 22' ' ' THR . 71.1 p -104.24 163.86 12.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.74 -41.15 94.79 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.987 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -59.76 -35.17 74.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.298 0.374 . . . . 0.0 110.833 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.27 -17.05 64.19 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.415 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -103.49 12.62 34.91 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 59.33 39.15 22.69 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.163 0.506 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.7 mt -92.89 123.21 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.31 -173.92 2.45 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.01 141.36 57.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.178 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 54.28 99.0 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.084 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 p -147.12 155.42 42.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.675 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.2 m -105.02 113.36 26.91 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.701 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.9 mt -94.4 167.89 11.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -120.69 120.51 35.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.994 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 7' ' ' THR . 16.6 tp -104.41 133.62 48.99 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.285 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.611 HG22 HD11 ' A' ' 8' ' ' LEU . 46.6 t -125.61 148.0 30.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.51 129.38 55.29 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.474 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -100.99 89.35 3.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.68 148.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.12 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -65.89 -43.4 88.35 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.9 -163.73 23.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.852 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.924 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.85 127.98 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 44.9 m -124.69 127.04 46.67 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.168 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -90.3 142.43 27.74 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.564 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.3 m -144.02 139.29 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.2 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -76.13 154.82 35.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.689 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 53.9 t -93.08 123.43 61.04 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.41 -8.75 22.22 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 121.896 1.731 . . . . 0.0 112.705 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.71 -51.08 12.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.182 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.491 ' SG ' HG23 ' B' ' 209' ' ' VAL . 13.6 p -121.7 -17.07 7.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.92 -176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 72.39 71.67 1.04 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.491 HG23 ' SG ' ' B' ' 207' ' ' CYS . 65.0 t -133.01 136.2 55.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -70.35 122.33 19.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 55.7 mt -151.67 140.01 13.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 123.38 0.425 . . . . 0.0 110.744 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.71 164.02 8.23 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 121.914 1.743 . . . . 0.0 110.991 177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.577 ' O ' HG22 ' B' ' 216' ' ' ILE . 92.2 mt-10 -74.77 -10.63 59.7 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.554 0.534 . . . . 0.0 111.697 179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 38.8 t -86.29 -45.61 11.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.725 0.298 . . . . 0.0 110.671 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -83.88 -0.69 52.31 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.869 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.577 HG22 ' O ' ' B' ' 213' ' ' GLU . 7.3 tp -65.11 -37.43 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 O-C-N 122.934 0.146 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -60.09 -47.14 87.11 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.155 0.284 . . . . 0.0 111.087 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.88 -44.61 84.83 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -59.13 -42.78 91.43 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.463 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 44' ' ' ILE . 36.9 mt -61.83 -39.02 90.34 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.27 -33.62 72.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.797 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 95.5 p -84.7 -52.48 6.04 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.199 0.312 . . . . 0.0 111.03 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -43.95 76.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.39 -39.8 92.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 41.1 m -57.52 -33.31 67.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.12 -42.43 98.52 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -57.36 -36.56 71.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.97 -18.38 60.88 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.277 0.36 . . . . 0.0 111.724 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -77.48 -39.76 45.41 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.049 0.218 . . . . 0.0 110.796 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.57 -41.97 91.42 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.42 -69.74 0.21 Allowed 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.378 0.424 . . . . 0.0 110.24 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 49.0 m -156.13 160.05 39.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.657 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.51 121.63 29.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.193 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -93.83 146.84 23.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.951 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 24.6 m -73.57 175.57 6.95 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.067 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 2.6 t 56.35 86.07 0.07 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.095 0.474 . . . . 0.0 110.126 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.81 135.51 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.563 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -58.08 -45.56 86.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.497 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -109.55 138.42 45.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.508 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.786 -179.851 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -83.21 123.3 29.43 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.927 0.767 . . . . 0.0 109.567 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -125.65 158.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.167 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -113.27 141.19 47.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.463 ' HB ' HG23 ' A' ' 13' ' ' ILE . 59.4 t -120.71 134.05 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -124.37 119.87 30.49 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.77 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.8 p -81.03 163.45 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.062 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD13 HG21 ' B' ' 202' ' ' VAL . 77.4 mt -64.68 -22.38 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -74.69 -19.48 60.24 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.81 -14.97 29.14 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-O 119.87 -0.406 . . . . 0.0 112.463 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.89 151.24 30.64 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -128.02 129.35 46.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.669 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 HG23 ' HB ' ' A' ' 5' ' ' VAL . 14.3 tt -130.83 126.41 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.747 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -90.08 125.22 35.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -122.73 135.33 54.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.114 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -100.97 113.29 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.993 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 ' NZ ' ' A' ' 29' ' ' LYS . 34.3 m -144.8 144.96 21.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.182 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -87.61 150.07 47.71 Favored Pre-proline 0 C--O 1.237 0.425 0 O-C-N 123.463 0.477 . . . . 0.0 110.455 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.95 -25.94 82.3 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 122.364 2.043 . . . . 0.0 111.954 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 -19.22 62.13 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.478 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.93 143.5 52.68 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.122 0.264 . . . . 0.0 110.476 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 p -82.85 156.43 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.37 -43.51 90.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.03 -33.58 70.92 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.314 0.384 . . . . 0.0 110.186 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.16 -40.24 82.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.67 -45.04 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.353 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.36 -49.18 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.357 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.95 64.2 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.355 0.41 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 99.4 mttt -62.82 -39.82 95.5 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.124 0.487 . . . . 0.0 109.985 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.7 mm -61.79 -40.77 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.95 -35.28 76.33 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 123.629 0.58 . . . . 0.0 110.649 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.84 -38.25 90.03 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.12 -24.22 15.4 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.28 -16.67 18.41 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.61 20.81 66.37 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.7 133.49 22.23 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 117.405 0.603 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.12 142.05 36.47 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.147 1.898 . . . . 0.0 112.803 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.96 -35.44 94.35 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.451 2.101 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.61 -34.52 77.18 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.342 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -82.94 -11.21 58.35 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.294 0.371 . . . . 0.0 111.846 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -114.36 129.26 56.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.991 0.424 . . . . 0.0 111.493 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -127.29 134.98 49.96 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.385 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -106.31 144.22 33.31 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.247 0.342 . . . . 0.0 111.141 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.542 HD11 HD22 ' B' ' 220' ' ' LEU . 98.7 mt -132.13 144.43 37.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.326 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -134.83 137.55 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.084 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 20.47 0.35 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.035 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 100.58 -21.68 42.99 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 119.897 -0.391 . . . . 0.0 112.887 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.95 149.22 23.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.26 0.53 . . . . 0.0 110.659 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -79.36 153.07 30.04 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -92.46 120.53 33.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.043 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -72.78 131.66 42.6 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.82 -39.8 90.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.481 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.58 7.85 51.7 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 123.411 0.445 . . . . 0.0 112.913 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -116.91 165.43 13.34 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 117.157 0.478 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -108.59 160.17 16.14 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.39 -40.59 94.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.046 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -59.08 -32.32 69.68 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.276 0.36 . . . . 0.0 110.831 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -70.88 -17.13 62.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.792 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -100.29 13.35 34.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 57.65 47.01 16.54 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.319 0.581 . . . . 0.0 110.614 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.71 121.78 53.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -101.91 -173.21 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.84 139.19 58.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 56.66 89.16 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.73 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -133.11 145.45 50.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.559 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -98.07 117.01 31.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -106.2 156.18 18.72 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.148 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -112.67 132.72 55.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.138 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.0 tp -106.09 139.7 40.2 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.224 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 220' ' ' LEU . 46.0 t -126.76 148.1 31.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -108.73 129.52 55.36 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.344 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -101.22 89.88 3.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.2 mt -72.27 148.3 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -77.51 141.69 39.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.363 0.414 . . . . 0.0 109.977 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.35 48.68 3.45 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.7 0 CA-C-O 118.025 -1.431 . . . . 0.0 110.942 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 47.8 t -113.13 129.2 69.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 13.1 p -80.6 158.36 25.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.348 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.0 152.9 49.34 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 8' ' ' LEU . 18.9 m -152.95 148.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.134 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.33 155.66 31.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.83 123.17 65.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.83 -12.54 32.97 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 121.873 1.715 . . . . 0.0 112.672 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 47' ' ' GLY . 16.0 t -88.91 -51.98 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.069 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' B' ' 209' ' ' VAL . 13.2 p -120.76 -15.6 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.567 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.94 72.1 0.8 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' B' ' 207' ' ' CYS . 79.0 t -133.69 135.86 54.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.42 ' C ' HG13 ' B' ' 211' ' ' ILE . 16.3 t-20 -67.85 123.12 19.68 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.42 HG13 ' C ' ' B' ' 210' ' ' ASN . 65.7 mt -151.47 138.81 12.28 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.943 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.74 156.72 14.21 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.913 1.742 . . . . 0.0 110.692 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -59.6 -40.52 87.76 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.45 0.469 . . . . 0.0 110.986 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -69.18 -39.24 78.82 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.451 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -71.77 -14.56 62.03 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.009 -0.542 . . . . 0.0 112.227 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.3 mm -64.58 -43.03 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 119.731 -0.176 . . . . 0.0 110.625 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -54.71 -49.81 69.83 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.417 0.448 . . . . 0.0 110.41 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -68.09 -44.43 76.25 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.773 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -56.38 -36.08 68.45 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.85 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 44' ' ' ILE . 32.1 mt -60.39 -39.07 86.0 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.251 0.345 . . . . 0.0 110.105 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.14 -35.08 79.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 50.0 m -77.18 -45.8 25.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 223' ' ' CYS . . . . . 0.43 ' SG ' ' HB ' ' B' ' 206' ' ' VAL . 0.6 OUTLIER -65.23 -42.86 93.0 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.962 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.43 -38.26 89.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 57.4 m -57.98 -34.55 70.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.701 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -59.78 -44.33 93.94 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -58.03 -48.21 80.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.626 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.35 -23.57 62.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.19 -32.05 73.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.46 -45.9 90.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.188 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.42 -33.83 67.41 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.22 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 10.2 t -84.48 124.28 31.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.722 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 16.2 tp -139.72 128.37 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.167 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -106.98 133.93 50.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 87.9 p -78.03 166.95 22.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.0 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 43.0 t -134.23 146.46 50.12 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.62 -45.05 99.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.538 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -58.9 -44.16 91.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.286 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.51 149.45 33.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.191 179.826 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.89 122.34 29.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.019 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 pt -124.95 161.36 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -116.94 142.93 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 13' ' ' ILE . 56.1 t -122.49 135.47 62.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -122.17 119.49 31.42 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.773 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.54 HG22 HD23 ' A' ' 69' ' ' LEU . 75.0 p -79.32 161.1 26.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.799 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 70' ' ' VAL . 75.4 mt -64.28 -23.84 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.398 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.9 p -75.22 -19.13 59.93 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.367 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.39 25.69 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.858 -0.412 . . . . 0.0 112.334 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -63.05 151.5 39.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 117.158 0.479 . . . . 0.0 109.895 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -129.85 129.96 44.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.674 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.7 tt -130.93 132.35 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.819 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m -94.85 123.9 38.58 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -117.09 132.92 56.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.485 -177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -96.62 116.79 29.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.119 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.01 -179.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.215 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -125.01 147.88 58.29 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 123.342 0.401 . . . . 0.0 110.386 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.6 -24.55 78.66 Favored 'Trans proline' 0 N--CA 1.503 2.04 0 C-N-CA 122.342 2.028 . . . . 0.0 112.04 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -82.01 -13.3 57.59 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.453 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.11 144.74 42.73 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.155 0.285 . . . . 0.0 110.526 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p -82.23 157.49 23.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.5 mm -60.83 -43.15 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.515 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -57.79 -30.0 65.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.334 0.396 . . . . 0.0 110.186 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -72.21 -39.65 68.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.43 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.643 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.43 -48.01 77.89 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.328 0.393 . . . . 0.0 110.343 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.02 -40.14 63.65 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.262 0.351 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.06 -41.91 99.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.015 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.59 -42.87 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.524 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -49.98 -41.41 46.84 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.333 0.395 . . . . 0.0 110.62 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.61 -35.47 79.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -80.74 -45.62 16.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -98.97 -6.1 29.33 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.84 24.2 71.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -110.8 131.28 22.19 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 117.323 0.561 . . . . 0.0 110.91 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.64 146.83 82.95 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.15 1.9 . . . . 0.0 112.779 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -55.17 -39.19 92.27 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.493 2.128 . . . . 0.0 112.206 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.69 -36.13 81.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.571 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.5 -8.63 58.75 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -117.35 128.24 54.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.987 0.422 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -122.92 123.26 40.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.995 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -100.07 134.76 42.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.237 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.613 HD11 HD22 ' B' ' 220' ' ' LEU . 97.3 mt -123.27 141.66 42.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.188 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -135.62 120.26 18.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.153 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.34 18.82 11.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.918 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 102.98 -19.32 47.0 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.916 -0.38 . . . . 0.0 113.009 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -104.48 148.18 26.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 117.323 0.562 . . . . 0.0 110.55 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -79.22 147.57 32.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.801 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -83.55 124.41 30.73 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.285 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -75.46 128.82 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.456 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -59.52 -37.14 77.55 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.7 8.25 56.0 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 123.335 0.397 . . . . 0.0 112.851 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -115.17 165.29 13.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.061 0.431 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -108.8 160.47 15.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.808 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.45 -40.41 86.76 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.061 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.4 -36.69 78.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.837 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.11 -17.53 64.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.937 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -100.84 13.51 34.77 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 58.32 43.03 20.66 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.179 0.514 . . . . 0.0 110.645 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -99.8 127.78 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -110.16 -170.42 1.64 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -61.69 133.39 55.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 56.51 93.91 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.677 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.7 m -133.35 146.7 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.677 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.9 m -98.04 114.98 27.3 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.64 146.55 28.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.94 127.59 41.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.139 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.54 HD23 HG22 ' A' ' 7' ' ' THR . 16.9 tp -107.49 133.28 52.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.098 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 8' ' ' LEU . 35.0 t -126.57 147.77 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -107.8 131.79 54.1 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -107.44 87.74 2.57 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.55 155.07 40.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.211 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -66.39 -44.07 84.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.713 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.82 -177.14 47.6 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 118.074 -1.403 . . . . 0.0 110.817 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 48.7 t -115.45 132.37 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.532 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 75.4 p -86.56 166.05 15.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -137.56 150.41 47.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.364 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.473 HG23 HD13 ' B' ' 216' ' ' ILE . 28.4 m -140.06 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.48 152.79 41.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.35 119.14 68.75 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.258 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -67.76 -13.07 37.57 Favored 'Trans proline' 0 N--CA 1.507 2.286 0 C-N-CA 122.156 1.904 . . . . 0.0 112.649 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 47' ' ' GLY . 18.5 t -87.76 -52.45 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.81 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.0 p -121.65 -15.72 7.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.777 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 63.06 77.96 0.2 Allowed Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.466 HG23 ' SG ' ' B' ' 207' ' ' CYS . 61.2 t -135.04 140.48 45.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.402 ' C ' HG13 ' B' ' 211' ' ' ILE . 4.3 t-20 -68.43 117.69 10.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' B' ' 219' ' ' HIS . 62.8 mt -146.22 140.81 15.79 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.859 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -55.78 156.53 18.69 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.947 1.765 . . . . 0.0 110.889 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.617 ' O ' HG22 ' B' ' 216' ' ' ILE . 75.1 tt0 -66.19 -18.83 65.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -87.76 -43.76 11.64 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.62 0.248 . . . . 0.0 111.011 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -74.4 -9.87 59.01 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.617 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.3 tp -64.73 -37.35 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 O-C-N 123.054 0.221 . . . . 0.0 111.368 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.12 -46.82 88.35 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.414 0.447 . . . . 0.0 110.417 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.33 -44.59 71.36 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.611 0.569 . . . . 0.0 110.303 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.439 ' CG ' HD13 ' B' ' 211' ' ' ILE . 80.5 t60 -56.56 -40.67 75.58 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.742 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.613 HD22 HD11 ' A' ' 44' ' ' ILE . 30.0 mt -58.82 -39.33 80.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.485 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 14.0 t -76.76 -45.72 28.0 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.374 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -42.05 99.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.792 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.69 -40.85 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.686 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 25.6 m -60.7 -36.34 78.57 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.446 0.467 . . . . 0.0 110.95 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -59.45 -45.08 92.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -48.78 -47.48 41.86 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.592 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -79.85 -20.56 45.69 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.84 -39.13 80.1 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -66.69 -67.03 0.48 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 45.88 44.13 10.8 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.517 0.675 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 88.2 p -60.52 91.71 0.02 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.18 38.03 4.08 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.456 0.646 . . . . 0.0 109.939 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -115.4 4.3 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.489 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 25.5 p -154.32 162.42 41.18 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 15.5 p -80.21 165.91 21.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.285 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 34.2 m -82.72 130.22 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.288 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -125.24 143.64 50.85 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.409 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.92 -42.72 99.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.367 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttp . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -89.87 118.8 29.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.995 0.809 . . . . 0.0 109.129 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.72 161.56 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.095 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.93 142.44 47.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' HB ' HG23 ' A' ' 13' ' ' ILE . 51.4 t -123.17 135.15 64.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -125.51 119.82 29.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.738 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.459 HG22 HD23 ' A' ' 69' ' ' LEU . 81.5 p -79.29 164.02 24.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.878 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.23 -22.08 66.83 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.439 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.7 p -75.67 -18.67 59.56 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.439 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.29 -9.42 31.01 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.359 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.38 151.42 44.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 117.126 0.463 . . . . 0.0 109.818 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -129.72 129.27 43.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.653 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 5' ' ' VAL . 13.4 tt -131.72 131.55 62.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.4 m -94.65 124.87 38.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -119.55 135.27 54.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -99.81 116.97 33.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.317 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -146.11 -173.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 123.572 0.545 . . . . 0.0 110.151 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -127.08 146.31 57.3 Favored Pre-proline 0 CA--C 1.536 0.41 0 O-C-N 123.233 0.333 . . . . 0.0 110.606 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.57 -22.74 73.42 Favored 'Trans proline' 0 N--CA 1.504 2.093 0 C-N-CA 122.258 1.972 . . . . 0.0 111.951 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -80.19 -17.31 52.72 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.368 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.0 148.67 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.768 0.318 . . . . 0.0 110.186 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.4 p -84.64 158.36 20.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.06 -42.97 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -58.43 -33.05 69.27 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.361 0.413 . . . . 0.0 110.606 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -69.37 -40.48 77.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.636 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.98 -44.7 99.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.69 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.04 -48.07 76.7 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.33 0.394 . . . . 0.0 110.318 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -40.91 62.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.66 -42.36 99.57 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.371 0.419 . . . . 0.0 109.897 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.07 -43.55 99.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.431 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -48.08 -40.28 22.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.566 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.17 -35.24 77.73 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.167 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.56 -41.47 17.87 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -99.76 -9.14 23.36 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.93 21.96 68.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.3 135.24 19.97 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 117.236 0.518 . . . . 0.0 110.884 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.5 140.58 93.7 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.112 1.875 . . . . 0.0 112.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.25 -35.78 96.05 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.417 2.078 . . . . 0.0 112.049 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.44 -36.94 84.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.505 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.71 -9.93 59.51 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -111.02 129.33 55.94 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 111.379 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -126.04 131.51 52.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.925 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 69' ' ' LEU . 40.2 mt -107.66 134.69 50.28 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.307 0.38 . . . . 0.0 111.409 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.553 HD11 HD22 ' B' ' 220' ' ' LEU . 71.2 mt -124.41 137.2 58.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.135 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' HD1' HD23 ' A' ' 67' ' ' LEU . 76.5 t80 -126.21 131.32 51.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.875 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 24.0 2.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.588 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.87 17.44 61.5 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 119.949 -0.362 . . . . 0.0 112.724 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 44' ' ' ILE . 51.1 mtmt -122.23 145.04 48.59 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 117.364 0.582 . . . . 0.0 110.378 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -77.16 128.01 33.65 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.949 0.404 . . . . 0.0 110.584 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.2 mt -84.89 102.77 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -63.81 131.83 49.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.499 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.43 -38.76 74.91 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.394 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.96 8.05 47.09 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 123.521 0.513 . . . . 0.0 112.737 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -113.63 162.31 16.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.063 0.431 . . . . 0.0 110.694 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -105.78 160.57 15.12 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.206 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -40.38 91.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.077 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.2 m -60.07 -36.52 77.53 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.207 0.317 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.24 -24.69 67.76 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.614 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -96.14 10.7 36.83 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 59.06 55.51 4.39 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.683 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.45 126.61 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -103.81 -174.98 2.67 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.43 142.04 57.72 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 52.06 82.94 0.06 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -129.85 152.17 49.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.593 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.5 m -99.39 113.61 26.05 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.406 0.441 . . . . 0.0 110.908 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD23 ' HD1' ' A' ' 45' ' ' PHE . 58.1 mt -100.09 141.68 32.59 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.145 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -93.28 125.79 38.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 7' ' ' THR . 17.9 tp -105.53 134.11 49.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.983 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.1 t -126.05 150.19 31.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 tp -110.23 125.25 52.89 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.163 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -94.85 91.55 6.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.6 tp -116.35 139.64 50.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.024 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -113.56 151.76 31.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.421 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.29 24.87 64.89 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.695 0 CA-C-O 118.067 -1.407 . . . . 0.0 110.759 -179.555 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.61 160.45 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.826 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 16.7 m -61.53 136.89 58.18 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -138.52 153.54 48.75 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.395 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 216' ' ' ILE . 28.6 m -140.88 137.21 34.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.98 150.13 42.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.856 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 47.1 t -88.64 123.19 68.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -71.21 -13.14 30.84 Favored 'Trans proline' 0 N--CA 1.507 2.268 0 C-N-CA 122.003 1.802 . . . . 0.0 112.602 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 33.1 t -87.04 -53.22 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.762 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.438 ' SG ' HG23 ' B' ' 209' ' ' VAL . 13.0 p -119.32 -12.1 9.45 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.759 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.86 74.9 0.32 Allowed Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.438 HG23 ' SG ' ' B' ' 207' ' ' CYS . 79.8 t -134.84 138.67 48.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.48 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.3 m120 -68.9 122.26 18.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.48 HG13 ' C ' ' B' ' 210' ' ' ASN . 60.3 mt -149.11 141.17 14.89 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -55.83 156.3 19.67 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.92 1.747 . . . . 0.0 110.897 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.598 ' O ' HG22 ' B' ' 216' ' ' ILE . 71.7 tt0 -65.92 -16.9 64.28 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 70.8 m -87.08 -44.67 11.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 123.247 0.342 . . . . 0.0 111.047 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -73.9 -6.82 49.54 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.598 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.9 tp -65.04 -37.69 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 123.118 0.261 . . . . 0.0 111.349 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.89 -50.43 70.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.93 -43.47 87.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.039 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.465 ' CG ' HD13 ' B' ' 211' ' ' ILE . 81.9 t60 -57.74 -36.39 72.01 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.784 0.678 . . . . 0.0 110.488 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 44' ' ' ILE . 28.7 mt -60.12 -38.94 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.173 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.73 -36.59 84.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 77.9 p -76.05 -41.01 52.02 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.89 -45.68 77.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.62 -39.61 91.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.713 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 40.5 m -55.75 -40.37 72.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -55.87 -45.34 78.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.243 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -61.43 -41.01 96.51 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.559 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.84 -25.6 62.9 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 123.557 0.536 . . . . 0.0 111.193 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -76.0 -41.08 52.2 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 123.162 0.289 . . . . 0.0 110.959 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.26 -40.73 95.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.367 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -105.64 160.47 15.17 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 94.1 p -73.59 162.88 28.74 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.636 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 19.3 tp -149.34 136.54 19.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.87 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -138.31 130.47 28.64 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.568 0.543 . . . . 0.0 110.446 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 27.7 p -158.84 168.24 27.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.249 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 89.8 p -148.74 163.51 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.566 0.541 . . . . 0.0 110.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.2 134.9 65.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.268 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -101.67 123.04 45.0 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.283 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 49.75 31.61 4.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.46 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ttp . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.03 122.55 29.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.294 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -127.31 157.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.176 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 14' ' ' THR . 77.0 m-85 -111.44 145.69 38.53 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.553 0.533 . . . . 0.0 109.65 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 13' ' ' ILE . 60.4 t -124.33 134.93 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -122.6 119.73 31.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.868 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.622 HG22 HD23 ' A' ' 69' ' ' LEU . 81.7 p -80.34 162.96 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.933 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 70' ' ' VAL . 75.8 mt -64.99 -24.82 67.62 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.454 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.9 p -74.91 -15.13 60.71 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 123.453 0.47 . . . . 0.0 111.404 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.17 -9.25 39.1 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 119.857 -0.413 . . . . 0.0 112.422 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.8 152.56 39.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 117.216 0.508 . . . . 0.0 109.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -131.58 131.16 43.08 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.701 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' HB ' ' A' ' 5' ' ' VAL . 13.4 tt -133.28 136.72 54.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.857 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 4' ' ' PHE . 28.1 m -98.01 123.9 42.24 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 135.07 54.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.491 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -98.58 114.51 26.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.89 174.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.267 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -126.09 150.46 69.54 Favored Pre-proline 0 CA--C 1.538 0.486 0 O-C-N 123.306 0.379 . . . . 0.0 110.618 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.34 -34.73 81.63 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.232 1.955 . . . . 0.0 111.992 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -71.24 -22.7 61.95 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.48 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.93 140.18 53.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.292 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 55' ' ' THR . 68.8 p -85.83 161.53 19.07 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.523 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mm -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -54.45 -37.07 64.76 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.231 0.332 . . . . 0.0 110.391 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -68.78 -41.11 79.23 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.465 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.91 -47.12 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.544 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -56.39 -46.96 79.86 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.408 0.442 . . . . 0.0 110.247 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.97 -40.01 66.5 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.422 0.451 . . . . 0.0 110.731 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -42.07 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.947 0.403 . . . . 0.0 110.037 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.41 -42.27 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.541 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -51.03 -42.34 60.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.484 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.76 -36.15 82.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -82.34 -44.91 15.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.73 -8.18 29.18 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.61 23.21 68.62 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.26 134.58 20.14 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 117.353 0.577 . . . . 0.0 110.917 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.99 143.46 99.76 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.157 1.905 . . . . 0.0 112.694 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -54.75 -40.23 85.7 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.396 2.064 . . . . 0.0 112.302 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.92 -31.03 72.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.534 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -80.01 -5.86 56.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -124.71 131.85 53.43 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.85 0.357 . . . . 0.0 111.426 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -124.15 126.04 45.48 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.096 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.3 mt -96.01 141.36 29.51 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.323 0.389 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 HD22 ' B' ' 220' ' ' LEU . 89.0 mt -131.1 142.11 44.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.174 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -133.84 135.25 43.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.218 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.19 21.38 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.499 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 99.83 -22.75 38.91 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.932 -0.371 . . . . 0.0 112.759 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -97.54 151.68 19.79 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.238 0.519 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' HB2' HD13 ' B' ' 224' ' ' LEU . 10.8 tt0 -79.44 149.22 31.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.5 mt -92.84 117.67 30.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.048 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -65.42 127.78 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -57.93 -36.71 72.89 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.545 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 10.65 55.05 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 123.451 0.469 . . . . 0.0 112.965 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mtm-85 -113.05 161.55 16.94 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 117.135 0.467 . . . . 0.0 110.669 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 22' ' ' THR . 68.0 p -102.91 159.14 15.76 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.176 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.01 -41.39 98.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -61.24 -32.77 72.56 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.236 0.335 . . . . 0.0 110.648 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.77 -12.13 61.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.073 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -103.73 9.5 37.09 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.68 39.17 27.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.154 0.502 . . . . 0.0 110.679 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -92.27 118.96 38.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -91.26 -178.57 5.18 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.035 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -68.83 145.01 54.1 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.01 82.69 0.1 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -135.19 150.87 50.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.645 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -103.38 119.42 38.84 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.377 0.423 . . . . 0.0 110.548 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.5 mt -101.54 154.13 19.12 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -101.13 125.38 47.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.072 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD23 HG22 ' A' ' 7' ' ' THR . 16.5 tp -108.26 134.56 50.93 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.13 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 HD11 ' A' ' 8' ' ' LEU . 48.5 t -123.03 146.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 tp -108.38 132.6 53.58 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -104.48 86.48 2.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.5 2.21 38.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -140.69 135.43 31.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 123.306 0.378 . . . . 0.0 110.038 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.97 173.05 44.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.829 0 CA-C-O 118.0 -1.444 . . . . 0.0 110.768 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.98 176.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.104 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 200' ' ' THR . . . . . 0.45 HG22 ' N ' ' B' ' 201' ' ' LYS . 9.3 m -60.73 163.34 5.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.231 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 201' ' ' LYS . . . . . 0.45 ' N ' HG22 ' B' ' 200' ' ' THR . 97.6 mttt -139.35 155.88 47.38 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.638 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.1 m -153.85 149.95 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -75.53 155.03 36.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.818 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.3 t -92.47 123.77 61.13 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.157 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.46 -11.82 28.79 Favored 'Trans proline' 0 N--CA 1.505 2.177 0 C-N-CA 121.904 1.736 . . . . 0.0 112.828 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 47' ' ' GLY . 41.3 t -90.46 -50.91 12.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.62 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.9 p -121.46 -18.02 7.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.5 -175.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.34 73.38 0.6 Allowed Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.422 HG23 ' SG ' ' B' ' 207' ' ' CYS . 74.8 t -135.02 140.4 45.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.407 ' C ' HG13 ' B' ' 211' ' ' ILE . 9.3 t-20 -68.02 118.18 10.86 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.49 HD13 ' CG ' ' B' ' 219' ' ' HIS . 72.6 mt -147.8 141.06 15.25 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.88 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.17 155.19 30.26 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.0 1.8 . . . . 0.0 110.675 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.23 -37.27 79.83 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.409 0.443 . . . . 0.0 110.892 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 67.5 m -69.46 -40.04 77.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -73.31 -12.23 60.77 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.23 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.0 mm -64.02 -42.21 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 119.725 -0.178 . . . . 0.0 110.537 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.11 -60.8 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.275 0.359 . . . . 0.0 110.219 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.86 -42.53 99.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.866 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.49 ' CG ' HD13 ' B' ' 211' ' ' ILE . 82.3 t60 -57.02 -42.04 79.65 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 44' ' ' ILE . 32.2 mt -64.37 -36.33 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.238 0.336 . . . . 0.0 110.37 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.28 -34.26 77.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.883 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 24.1 p -88.69 -36.56 16.13 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.548 0.53 . . . . 0.0 111.202 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.3 -45.07 74.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.88 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 224' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 49' ' ' GLN . 69.5 mt -63.75 -43.5 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.81 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 24.4 m -69.54 -41.06 76.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -64.09 -59.33 4.58 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.673 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -35.9 -54.63 0.75 Allowed 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.048 0.843 . . . . 0.0 111.074 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -63.27 -48.71 77.0 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.784 0.678 . . . . 0.0 110.904 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.02 -29.16 67.05 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.463 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.99 -50.43 73.41 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.428 0.455 . . . . 0.0 110.932 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.94 90.71 0.63 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.814 0.34 . . . . 0.0 110.469 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 39.8 t -154.93 149.01 25.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.663 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.93 -42.68 94.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.252 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -121.2 122.75 40.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 47.6 t -75.57 151.56 37.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.094 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 19.3 m -67.57 147.6 52.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.7 130.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -138.3 150.75 46.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.242 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.77 -39.71 94.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.473 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.565 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ttp . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.438 ' NE2' HG22 ' A' ' 14' ' ' THR . 6.0 tp-100 -81.23 122.3 27.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.673 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 HG22 ' A' ' 17' ' ' VAL . 37.2 pt -130.88 139.39 51.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.9 146.22 25.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 67' ' ' LEU . 75.0 t -121.4 138.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -126.23 120.93 31.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.458 HG22 HD23 ' A' ' 69' ' ' LEU . 80.3 p -80.48 164.56 22.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.094 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.517 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.9 p -76.79 -16.87 59.34 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.665 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.42 -15.25 27.47 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 119.873 -0.404 . . . . 0.0 112.272 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.95 150.56 24.09 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.3 m -131.92 131.09 42.38 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.66 139.01 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.49 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.438 HG22 ' NE2' ' A' ' 2' ' ' GLN . 26.6 m -100.06 120.68 40.21 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 140.28 51.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -109.72 114.97 29.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.565 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG22 HG12 ' A' ' 3' ' ' ILE . 35.4 m -138.46 172.26 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.589 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -117.64 150.97 47.8 Favored Pre-proline 0 CA--C 1.54 0.586 0 O-C-N 123.413 0.446 . . . . 0.0 110.65 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.44 -30.87 83.68 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.187 1.925 . . . . 0.0 111.998 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 m -73.98 -18.01 60.92 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.616 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.52 142.59 48.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.552 0.215 . . . . 0.0 110.47 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.6 p -83.38 158.55 22.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.382 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 HD13 ' A' ' 50' ' ' LEU . 38.0 mm -61.09 -42.66 94.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.79 -32.11 70.31 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 123.36 0.412 . . . . 0.0 110.434 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -70.01 -39.09 76.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.47 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.5 t -61.79 -45.49 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.59 -47.77 75.94 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.25 0.344 . . . . 0.0 110.443 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.02 64.78 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.178 0.299 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.28 -42.18 99.07 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.06 -42.7 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.484 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -50.36 -40.26 48.87 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.31 0.381 . . . . 0.0 110.728 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.29 -35.84 80.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.314 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -85.03 -40.61 16.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -98.4 -8.72 26.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.87 22.54 68.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -111.06 133.26 21.35 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 117.329 0.565 . . . . 0.0 110.755 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.62 146.43 91.63 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.135 1.89 . . . . 0.0 112.675 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.71 -38.45 91.42 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.186 1.924 . . . . 0.0 112.541 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.21 -37.72 88.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.472 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -76.12 -7.91 55.82 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -118.37 128.47 54.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 111.18 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.09 119.94 32.83 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.111 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 HD13 ' A' ' 69' ' ' LEU . 33.0 mt -96.94 134.64 40.03 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.375 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.618 HD11 HD22 ' B' ' 220' ' ' LEU . 88.6 mt -125.63 140.78 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.27 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD2' HD23 ' A' ' 67' ' ' LEU . 66.8 t80 -140.79 118.21 11.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.012 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 73.8 22.76 2.43 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.791 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.3 11.29 78.49 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.986 -0.341 . . . . 0.0 112.939 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -127.91 147.83 50.48 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.261 0.53 . . . . 0.0 110.12 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.81 135.21 37.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 HD12 ' A' ' 23' ' ' ILE . 76.8 mt -73.63 137.1 43.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.381 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -87.51 122.65 31.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.701 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.37 -35.73 74.46 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.79 10.18 47.7 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.444 0.465 . . . . 0.0 112.634 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.5 178.1 4.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.335 0.568 . . . . 0.0 110.559 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -121.93 162.64 20.69 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.67 -40.14 86.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.957 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t -60.15 -39.73 87.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.576 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -62.43 -18.3 61.39 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.602 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -97.83 8.73 44.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 57.38 43.59 22.98 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.267 0.555 . . . . 0.0 110.616 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.8 mt -96.97 120.57 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -86.97 177.96 7.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.196 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.72 145.3 56.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.978 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 51.78 89.5 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 p -137.5 154.74 49.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.385 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -103.03 119.89 39.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 45' ' ' PHE . 54.5 mt -102.08 159.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.84 124.9 50.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.118 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD23 HG22 ' A' ' 7' ' ' THR . 15.9 tp -106.84 133.09 52.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG11 HD11 ' B' ' 220' ' ' LEU . 44.6 t -115.67 145.18 21.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 tp -107.08 130.09 54.73 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -96.05 12.46 30.48 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.29 138.0 51.34 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.956 0.408 . . . . 0.0 110.062 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -87.1 142.12 28.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.173 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.82 -75.72 0.23 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.839 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 25.0 m -111.84 131.2 63.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 200' ' ' THR . . . . . 0.44 HG21 ' OE2' ' B' ' 213' ' ' GLU . 61.6 m -109.86 121.36 45.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.291 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.43 151.77 19.53 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.598 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 21.4 m -152.15 147.5 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.917 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -74.92 151.27 38.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.872 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.83 123.51 63.01 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -67.8 -13.22 37.93 Favored 'Trans proline' 0 N--CA 1.504 2.107 0 C-N-CA 122.192 1.928 . . . . 0.0 112.69 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 34.4 t -91.67 -50.65 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.828 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' B' ' 209' ' ' VAL . 12.3 p -121.39 -18.22 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.678 -175.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 67.51 73.22 0.69 Allowed Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.457 HG23 ' SG ' ' B' ' 207' ' ' CYS . 69.0 t -133.34 138.14 51.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -68.14 119.98 13.61 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.42 HD13 ' CG ' ' B' ' 219' ' ' HIS . 48.6 mt -149.13 140.54 14.34 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.167 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 157.15 25.65 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.803 1.668 . . . . 0.0 110.664 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.44 ' OE2' HG21 ' B' ' 200' ' ' THR . 92.6 mt-10 -60.58 -36.66 79.05 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.308 0.38 . . . . 0.0 111.372 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -69.51 -38.96 77.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.376 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -74.62 -13.29 60.62 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.05 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.6 mm -64.99 -41.83 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -56.69 -48.35 77.84 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.513 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.27 -43.49 67.08 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.61 0.569 . . . . 0.0 109.917 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.42 ' CG ' HD13 ' B' ' 211' ' ' ILE . 85.0 t60 -57.0 -39.36 74.55 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.807 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.618 HD22 HD11 ' A' ' 44' ' ' ILE . 35.7 mt -61.68 -37.29 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.335 0.397 . . . . 0.0 110.24 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.57 -35.47 80.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.566 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 32.7 t -79.84 -46.68 16.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.57 -47.31 84.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.753 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.05 -41.87 97.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 46.9 m -63.23 -39.1 93.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.969 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -65.28 -46.1 81.79 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -48.35 -49.93 32.46 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.865 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.01 -62.7 1.28 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.413 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -44.83 -30.78 1.04 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.291 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -65.12 -49.55 69.48 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.119 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.17 -41.46 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.934 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 20.6 p -47.5 -33.86 6.81 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.406 0.441 . . . . 0.0 110.932 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.78 139.93 53.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -62.25 -41.92 98.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.219 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 46.7 m -55.48 -42.21 74.04 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 39.5 t -69.76 138.24 52.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.43 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 11.8 p -142.26 141.16 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.249 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -144.89 62.81 1.31 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.446 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.86 -41.71 97.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.453 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptt? . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.44 120.94 24.55 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -124.14 162.66 25.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.219 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.28 142.88 47.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.633 0.583 . . . . 0.0 109.535 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 13' ' ' ILE . 58.1 t -122.65 134.89 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -127.79 117.99 22.89 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.546 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -81.3 165.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.833 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 HD11 HG22 ' A' ' 70' ' ' VAL . 75.8 mt -62.28 -25.17 67.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -75.94 -15.06 60.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.545 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.38 -7.72 43.55 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 119.876 -0.402 . . . . 0.0 112.423 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -61.51 132.73 54.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.191 0.495 . . . . 0.0 109.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m -117.11 124.19 48.61 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.511 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.0 tt -130.05 135.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.6 m -96.44 125.16 40.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -123.99 140.49 52.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.199 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -104.77 115.52 30.45 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.214 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 26' ' ' VAL . 32.2 m -138.95 153.96 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.222 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -99.02 144.45 28.22 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.388 0.43 . . . . 0.0 110.638 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.96 -35.25 79.95 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 122.168 1.912 . . . . 0.0 111.775 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -70.47 -18.33 62.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.626 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.86 142.33 46.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.62 0.247 . . . . 0.0 110.576 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -83.4 157.92 22.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.193 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -60.56 -42.88 93.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -55.9 -34.23 65.37 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.212 0.32 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -70.98 -39.95 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 17' ' ' VAL . 85.5 t -61.04 -46.26 96.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.358 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -54.96 -46.56 75.04 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.178 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.76 -40.26 62.98 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.249 0.343 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.09 -42.61 96.86 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.64 -42.59 96.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.495 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.32 -40.7 59.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.473 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.41 -36.09 81.96 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.43 -42.41 16.99 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.77 -9.77 22.62 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.95 22.84 68.96 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.3 134.61 19.67 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-N 117.305 0.552 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.55 132.57 52.63 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.265 1.976 . . . . 0.0 112.399 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.22 -36.83 94.22 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.417 2.078 . . . . 0.0 112.459 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.89 -21.37 66.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.926 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.58 3.48 50.51 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 123.158 0.286 . . . . 0.0 111.691 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.609 ' HB3' HD11 ' A' ' 69' ' ' LEU . 33.3 mt-30 -118.6 129.84 55.54 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.02 0.438 . . . . 0.0 111.286 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 69' ' ' LEU . 80.9 mtp180 -122.86 121.6 36.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.684 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' CD2' HD13 ' A' ' 69' ' ' LEU . 49.8 mt -99.15 133.46 43.4 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.268 0.355 . . . . 0.0 110.967 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.578 HD11 HD22 ' B' ' 220' ' ' LEU . 74.6 mt -124.02 138.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.38 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' HD1' HD23 ' A' ' 67' ' ' LEU . 74.0 t80 -126.06 130.3 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.932 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.82 24.72 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.832 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.68 19.72 53.27 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.735 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 44' ' ' ILE . 55.9 mtmt -125.51 146.11 49.8 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.372 0.586 . . . . 0.0 110.16 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.23 132.03 37.38 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 45' ' ' PHE . 67.6 mt -90.14 102.58 15.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.423 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.64 133.18 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.679 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.14 -38.93 71.5 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.249 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.93 8.64 35.88 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 123.438 0.461 . . . . 0.0 112.858 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -113.58 160.7 18.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.106 0.453 . . . . 0.0 110.737 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.5 p -105.72 157.93 17.08 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.912 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.07 -41.88 89.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.028 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -58.15 -32.94 68.65 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.682 0.277 . . . . 0.0 110.852 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.74 -32.71 74.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.555 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -91.19 10.89 25.19 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 57.44 54.76 6.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.441 0.639 . . . . 0.0 110.988 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -105.18 116.67 49.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -96.77 -174.27 2.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.51 138.48 58.1 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 56.66 83.8 0.1 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -131.38 149.34 52.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 m -100.61 115.65 30.69 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.344 0.402 . . . . 0.0 110.641 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' HD1' ' A' ' 45' ' ' PHE . 53.2 mt -103.99 134.96 46.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.467 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -94.21 126.26 39.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 41' ' ' GLN . 19.7 tp -109.69 138.77 45.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG22 HD11 ' A' ' 8' ' ' LEU . 40.8 t -119.53 147.55 23.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 73' ' ' LEU . 10.3 tp -103.19 134.26 46.91 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.71 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -88.25 13.5 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.175 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB2' HD23 ' A' ' 71' ' ' LEU . 3.4 tt -49.79 131.51 22.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.442 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -83.19 127.5 33.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.467 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.4 -37.93 94.37 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.807 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.857 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 51.3 t -123.39 132.09 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.496 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 54.5 m -119.34 127.87 53.58 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.31 150.61 27.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.333 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.495 HG23 HD13 ' B' ' 216' ' ' ILE . 20.8 m -136.99 133.92 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.238 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -70.62 147.16 49.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.68 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.38 124.48 61.05 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.92 -10.04 24.3 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.865 1.71 . . . . 0.0 112.665 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.8 t -91.7 -47.44 14.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.423 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.7 p -126.11 -16.69 5.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.56 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 63.83 75.77 0.33 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' B' ' 207' ' ' CYS . 61.7 t -134.25 137.81 51.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.428 ' C ' HG13 ' B' ' 211' ' ' ILE . 8.7 m120 -68.39 122.22 17.94 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.428 HG13 ' C ' ' B' ' 210' ' ' ASN . 58.1 mt -149.34 140.8 14.5 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.891 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.88 153.83 35.49 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.858 1.705 . . . . 0.0 110.846 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.595 ' O ' HG22 ' B' ' 216' ' ' ILE . 74.0 tt0 -62.97 -16.75 60.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 68.2 p -86.7 -42.3 13.48 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.612 0.244 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -76.14 -4.79 43.51 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.312 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.595 HG22 ' O ' ' B' ' 213' ' ' GLU . 9.2 tp -65.11 -39.2 84.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 O-C-N 122.969 0.168 . . . . 0.0 111.299 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.09 -46.83 87.32 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.349 0.406 . . . . 0.0 110.488 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.42 -43.48 77.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.063 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -58.8 -39.7 81.88 Favored 'General case' 0 CA--C 1.527 0.066 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.891 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 44' ' ' ILE . 32.9 mt -59.36 -39.27 82.71 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.161 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.74 -34.52 78.06 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 34.4 t -77.91 -49.32 14.41 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.285 0.366 . . . . 0.0 111.395 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -44.73 96.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.744 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.81 -38.9 92.83 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.821 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 4.7 t -57.42 -35.73 70.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -61.19 -44.57 97.08 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.962 0.41 . . . . 0.0 109.95 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -56.25 -34.11 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.694 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.33 -16.29 60.42 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.507 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.92 -37.0 35.56 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 120.44 0.162 . . . . 0.0 110.892 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.87 -44.79 96.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -53.15 -67.09 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.318 0.386 . . . . 0.0 110.59 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 34.2 t -127.89 119.53 25.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.434 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.88 149.61 43.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.867 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -65.64 83.44 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 123.547 0.53 . . . . 0.0 110.297 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 41.4 m -61.63 -39.35 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.101 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 45.7 p -149.26 167.88 24.82 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 10.4 p -119.44 137.46 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.117 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.62 -42.98 85.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.186 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -72.04 132.76 44.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.401 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ttp . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' NE2' HG21 ' A' ' 14' ' ' THR . 48.5 tt0 -85.3 120.65 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.588 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.42 161.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.095 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -117.49 144.29 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.575 0.547 . . . . 0.0 109.591 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' A' ' 13' ' ' ILE . 60.3 t -123.41 134.58 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -124.28 119.44 29.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.995 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.7 p -80.67 165.57 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.897 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 70' ' ' VAL . 83.2 mt -66.17 -22.76 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.436 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.8 p -74.75 -18.96 60.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.46 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.32 -15.28 30.26 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.909 -0.384 . . . . 0.0 112.437 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.44 150.59 26.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.093 0.447 . . . . 0.0 109.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -128.32 131.4 48.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.4 tt -132.63 133.73 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.794 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 HG21 ' NE2' ' A' ' 2' ' ' GLN . 31.8 m -96.94 124.56 40.95 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 tp -116.66 136.92 52.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.12 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -101.07 110.91 23.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.17 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.0 173.6 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.853 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.94 150.24 55.61 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.465 0.478 . . . . 0.0 110.472 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -34.94 87.43 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 122.065 1.844 . . . . 0.0 112.128 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.8 p -71.12 -21.29 62.22 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.723 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.71 140.45 55.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.653 0.263 . . . . 0.0 110.587 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 55' ' ' THR . 12.4 p -84.9 159.98 20.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.099 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.63 -43.53 94.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -54.06 -33.53 57.69 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.883 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -71.04 -39.47 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.259 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.48 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.34 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.93 -49.44 71.3 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.304 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.48 -39.67 61.44 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.209 0.318 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.75 -42.27 97.88 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.458 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -46.37 -41.59 13.74 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.341 0.4 . . . . 0.0 110.819 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.07 -35.02 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -88.13 -37.51 16.13 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -101.55 -19.36 15.52 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.84 74.88 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.038 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD13 HE21 ' A' ' 41' ' ' GLN . 60.8 mt -106.92 133.82 20.11 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 117.448 0.624 . . . . 0.0 110.859 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.85 137.8 60.6 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.29 1.993 . . . . 0.0 112.904 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 -38.59 93.58 Favored 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.424 2.082 . . . . 0.0 112.255 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -66.98 -17.65 65.02 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.642 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.21 0.55 51.23 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.441 HE21 HD13 ' A' ' 36' ' ' ILE . 45.8 mm-40 -121.43 130.66 53.71 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.793 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -124.85 127.19 46.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.306 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -102.11 140.13 36.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.474 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.538 HD11 HD22 ' B' ' 220' ' ' LEU . 86.8 mt -129.36 142.23 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.331 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.6 136.95 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.92 19.74 0.49 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.12 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 101.35 -22.58 38.45 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 120.017 -0.324 . . . . 0.0 112.876 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -99.01 150.37 22.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.14 0.47 . . . . 0.0 110.477 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -77.07 152.75 34.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.689 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.9 mt -97.13 119.71 36.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.238 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -66.58 126.45 28.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -59.84 -36.11 76.14 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.235 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.43 12.52 45.48 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.814 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -116.81 166.73 11.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 117.133 0.467 . . . . 0.0 110.671 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 22' ' ' THR . 45.3 p -107.08 160.7 15.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.975 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.3 -41.68 97.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.291 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -59.56 -35.85 75.06 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.33 0.394 . . . . 0.0 110.84 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.49 -16.78 64.0 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.721 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -103.59 8.47 37.61 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 56.63 50.96 11.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.312 0.577 . . . . 0.0 110.614 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -100.51 115.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.11 -179.65 6.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.309 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.38 142.93 57.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.032 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 53.66 90.32 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 p -136.46 153.57 51.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.78 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 m -102.72 115.59 30.89 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.293 0.37 . . . . 0.0 110.554 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -100.94 146.49 27.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.486 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -96.08 127.26 41.94 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.391 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -110.51 135.11 51.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG22 HD11 ' A' ' 8' ' ' LEU . 45.2 t -127.41 148.09 32.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -102.94 132.79 48.93 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -105.43 87.59 2.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.983 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.96 146.83 49.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.15 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -70.3 -41.03 73.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.77 -57.36 19.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 117.955 -1.47 . . . . 0.0 110.911 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 14.7 p -155.38 143.59 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 28.6 m -113.91 119.05 35.93 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.79 155.14 47.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.608 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 20.4 m -151.1 145.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.095 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.22 152.6 38.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.7 t -87.68 124.69 67.06 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.38 -14.64 37.64 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 121.791 1.661 . . . . 0.0 112.599 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.47 HG13 ' OE2' ' B' ' 227' ' ' GLU . 36.8 t -89.1 -51.56 12.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.963 -178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.0 p -121.92 -13.89 8.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.532 -175.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.61 77.43 0.19 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.474 HG23 ' SG ' ' B' ' 207' ' ' CYS . 78.9 t -134.42 141.58 43.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.412 ' C ' HG13 ' B' ' 211' ' ' ILE . 4.6 t-20 -68.66 117.35 10.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.412 HG13 ' C ' ' B' ' 210' ' ' ASN . 79.6 mt -149.59 138.45 12.47 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.06 158.63 17.06 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.133 1.888 . . . . 0.0 110.371 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.73 -39.29 88.08 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.363 0.414 . . . . 0.0 111.289 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 42.7 t -67.16 -41.38 86.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.658 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.7 -13.17 61.65 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.247 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.12 -42.42 91.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -55.94 -48.27 76.06 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.7 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.92 -42.88 69.32 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.557 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.51 -35.35 70.13 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.806 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 44' ' ' ILE . 33.1 mt -61.37 -39.17 89.67 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.77 -35.35 80.29 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.042 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 77.9 p -78.83 -42.55 27.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.56 -49.22 69.68 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 59.7 mt -65.04 -40.29 94.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.807 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 74.9 p -62.78 -37.0 84.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.936 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -59.12 -46.01 89.45 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 227' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' B' ' 206' ' ' VAL . 99.1 mt-10 -52.17 -47.86 65.26 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.789 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.89 -19.78 65.99 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.155 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -76.0 -51.87 11.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.604 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.41 160.84 26.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 3.2 p 70.09 176.1 0.28 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.537 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.65 158.29 0.06 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.739 0.649 . . . . 0.0 110.241 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -52.44 138.56 27.09 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.283 0.365 . . . . 0.0 111.067 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 61.4 p -151.18 37.23 0.61 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 59.2 m -57.94 -39.02 77.03 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.152 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.63 144.72 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.365 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -110.18 159.76 17.09 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -62.15 -45.69 92.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.408 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.124 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ttp . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.448 ' NE2' HG21 ' A' ' 14' ' ' THR . 49.8 tt0 -87.19 120.83 28.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.213 0.946 . . . . 0.0 109.284 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.72 160.94 29.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.023 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -116.82 143.97 45.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.539 0.524 . . . . 0.0 109.602 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 13' ' ' ILE . 61.9 t -124.09 134.64 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.02 120.37 30.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.54 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -79.5 166.38 22.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.922 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.652 HD11 HG22 ' A' ' 70' ' ' VAL . 80.3 mt -64.96 -23.18 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.438 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.5 p -75.38 -18.46 59.95 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.526 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 -11.1 32.21 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-O 119.931 -0.372 . . . . 0.0 112.427 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.03 150.84 28.01 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 117.107 0.453 . . . . 0.0 109.897 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -129.87 129.14 43.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.674 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG23 ' HB ' ' A' ' 5' ' ' VAL . 14.4 tt -132.76 135.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.804 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 HG21 ' NE2' ' A' ' 2' ' ' GLN . 33.3 m -97.82 123.62 41.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -117.3 133.08 56.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.207 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -97.02 112.46 24.21 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.35 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.4 173.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -123.97 151.75 65.5 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 123.255 0.347 . . . . 0.0 110.532 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.73 -35.2 87.02 Favored 'Trans proline' 0 N--CA 1.503 2.065 0 C-N-CA 122.347 2.031 . . . . 0.0 111.794 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -69.34 -21.0 63.86 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.515 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.38 138.38 49.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 HG22 HG22 ' A' ' 55' ' ' THR . 17.7 p -83.69 158.15 21.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -59.63 -42.01 86.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.514 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.84 -34.69 69.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.45 0.469 . . . . 0.0 110.246 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.62 -39.89 76.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.458 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -61.16 -46.22 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.587 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.16 -46.93 79.1 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.302 0.376 . . . . 0.0 110.005 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.53 -42.11 67.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.323 0.39 . . . . 0.0 110.608 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.46 -42.42 99.46 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.68 -42.82 97.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.412 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -49.63 -40.92 41.03 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.494 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -66.74 -36.89 83.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.87 -40.64 22.11 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -101.28 -7.84 22.67 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.27 22.35 69.11 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -109.34 131.9 21.58 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 117.221 0.51 . . . . 0.0 110.98 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.12 144.52 99.48 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.178 1.918 . . . . 0.0 112.636 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.84 -37.27 92.64 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.346 2.03 . . . . 0.0 112.396 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.22 -44.07 83.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -77.7 -10.88 59.77 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.88 126.38 53.0 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.983 0.42 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -125.5 131.11 52.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.043 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -106.12 132.34 52.31 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.344 0.402 . . . . 0.0 111.27 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.619 HD11 HD22 ' B' ' 220' ' ' LEU . 80.5 mt -121.55 139.09 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.278 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -135.5 147.92 49.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.08 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.23 25.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.859 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.13 27.77 47.91 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-O 119.861 -0.41 . . . . 0.0 113.117 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' ILE . 54.6 pttt -145.42 153.35 41.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.031 0.416 . . . . 0.0 110.623 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -76.46 142.89 40.84 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.006 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.31 115.83 28.4 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.05 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -68.35 124.58 23.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.57 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.9 -28.55 67.67 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.593 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.38 5.4 80.94 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.509 0.506 . . . . 0.0 112.934 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -115.62 157.32 24.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.968 0.384 . . . . 0.0 110.962 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.437 HG22 HG22 ' A' ' 22' ' ' THR . 34.1 p -95.84 161.82 13.85 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.87 0.732 . . . . 0.0 111.124 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.18 -41.63 98.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.155 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m -57.53 -32.84 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.152 0.283 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.08 -10.18 57.87 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -105.25 7.83 33.68 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.79 40.04 29.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.151 0.501 . . . . 0.0 110.694 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -93.78 123.46 45.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -95.28 -177.6 4.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.97 139.18 58.74 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.186 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 55.96 92.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -135.27 150.01 49.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.75 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -101.86 111.86 24.26 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.401 0.438 . . . . 0.0 110.71 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.2 mt -98.32 149.62 22.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.426 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -99.59 124.22 44.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.064 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 tp -107.27 133.98 51.02 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.652 HG22 HD11 ' A' ' 8' ' ' LEU . 39.8 t -126.81 148.88 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -108.25 129.23 55.21 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -102.28 87.0 2.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.179 0.514 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 tp -120.56 133.1 55.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.376 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.38 148.74 22.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.283 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.13 -136.86 4.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.911 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.21 126.64 69.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.584 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 17.9 p -86.27 162.57 18.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.2 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.52 149.66 49.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.502 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 216' ' ' ILE . 28.4 m -142.16 139.22 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -75.53 153.41 37.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.927 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 49.6 t -90.83 121.36 68.2 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.239 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -70.6 -12.18 30.89 Favored 'Trans proline' 0 N--CA 1.507 2.312 0 C-N-CA 121.872 1.714 . . . . 0.0 112.614 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.34 -51.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.697 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.9 p -121.73 -16.16 7.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.744 -175.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 64.62 73.67 0.55 Allowed Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.457 HG23 ' SG ' ' B' ' 207' ' ' CYS . 52.9 t -132.18 135.72 57.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.419 ' C ' HG13 ' B' ' 211' ' ' ILE . 12.7 t-20 -68.14 121.28 15.83 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.419 HG13 ' C ' ' B' ' 210' ' ' ASN . 58.7 mt -149.21 139.71 13.61 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.759 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -54.35 158.38 9.93 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.865 1.71 . . . . 0.0 111.027 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.605 ' O ' HG22 ' B' ' 216' ' ' ILE . 70.9 tt0 -66.41 -16.47 64.12 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.424 0.452 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 58.2 m -87.06 -44.42 11.57 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.417 0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -78.2 -8.18 58.01 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.605 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.5 tp -65.79 -40.15 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 123.326 0.391 . . . . 0.0 111.242 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.09 -47.13 86.03 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.463 0.477 . . . . 0.0 110.236 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.65 -45.29 79.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.882 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -57.25 -34.15 68.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.556 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 44' ' ' ILE . 25.6 mt -60.38 -38.98 85.65 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.341 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.52 -36.02 82.83 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 72.5 m -74.74 -42.16 58.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.367 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -42.74 90.1 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.681 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.96 -40.14 95.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.483 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 46.9 m -60.14 -38.87 84.4 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -59.22 -47.62 84.65 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.55 -34.74 1.47 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.0 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -98.76 -24.84 14.87 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.286 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -68.03 -33.6 74.9 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.351 0.407 . . . . 0.0 110.712 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 230' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' B' ' 233' ' ' LEU . 60.1 tttp -53.17 -46.17 68.82 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.83 -30.91 70.37 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.651 0.262 . . . . 0.0 110.936 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 15.4 m -70.84 -31.86 68.7 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.135 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' B' ' 230' ' ' LYS . 80.8 mt -52.31 -64.44 0.81 Allowed 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.647 0.592 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -107.66 168.45 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 22.3 p -150.95 169.98 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.179 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 57.1 m -56.85 -37.98 72.04 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.565 0.541 . . . . 0.0 110.265 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.79 129.36 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -69.77 -39.06 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.449 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.03 -40.8 94.95 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.272 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttm . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -85.77 116.99 24.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.175 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.86 164.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.193 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CE1' HG23 ' A' ' 14' ' ' THR . 92.4 m-85 -122.8 143.11 50.05 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.585 0.553 . . . . 0.0 109.513 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.56 134.87 64.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -124.38 118.46 26.76 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.687 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -79.95 164.89 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.985 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 HG22 ' A' ' 70' ' ' VAL . 77.4 mt -63.42 -24.19 67.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.401 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -75.72 -13.22 60.3 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.559 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.61 -7.11 49.75 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 119.891 -0.394 . . . . 0.0 112.4 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -62.56 150.83 39.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.266 0.533 . . . . 0.0 109.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -131.47 128.48 39.53 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -132.38 132.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.744 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.42 HG23 ' CE1' ' A' ' 4' ' ' PHE . 22.3 m -95.11 123.82 38.81 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.82 138.17 53.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.606 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -98.36 125.89 43.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.7 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -145.3 -171.06 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.079 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -143.14 148.91 46.77 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 123.241 0.338 . . . . 0.0 110.332 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.48 -36.07 78.51 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.132 1.888 . . . . 0.0 111.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.7 p -71.96 -24.6 61.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.71 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.47 138.87 55.58 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.497 HG22 HG22 ' A' ' 55' ' ' THR . 75.6 p -85.85 160.05 19.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.48 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.83 -42.49 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.55 -36.5 64.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.917 0.389 . . . . 0.0 110.338 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.37 -38.78 81.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.522 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.51 -44.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.303 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.68 -48.71 72.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.123 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.16 68.88 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.299 0.374 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.55 -42.57 99.62 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.48 -42.91 97.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.395 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -47.25 -42.36 20.35 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.111 0.257 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.77 -35.64 79.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.64 -40.91 15.69 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -102.49 -14.09 16.96 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.67 22.02 63.56 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.919 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -103.78 135.27 19.39 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 117.447 0.624 . . . . 0.0 110.726 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.63 138.96 88.64 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.164 1.909 . . . . 0.0 112.812 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.66 -37.83 96.87 Favored 'Trans proline' 0 N--CA 1.503 2.068 0 C-N-CA 122.351 2.034 . . . . 0.0 112.48 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -63.22 -38.34 90.79 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.424 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 71' ' ' LEU . 40.4 tt0 -77.25 -5.59 49.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.733 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -120.29 130.52 54.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.435 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -123.84 124.72 43.28 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.279 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.95 139.73 31.73 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.413 0.445 . . . . 0.0 111.571 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CD1' HD22 ' B' ' 220' ' ' LEU . 84.7 mt -131.36 140.17 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.348 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CD1' HD23 ' A' ' 67' ' ' LEU . 70.0 t80 -139.38 120.31 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.224 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.68 24.54 5.43 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.835 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' HA2' HG22 ' B' ' 206' ' ' VAL . . . 85.43 13.26 71.04 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-O 119.97 -0.35 . . . . 0.0 113.126 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -134.17 150.1 51.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.102 0.451 . . . . 0.0 110.345 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -76.39 155.21 34.22 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -102.59 123.81 46.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -75.97 122.8 24.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.621 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -56.15 -31.65 63.55 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.565 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 8.23 58.93 Favored Glycine 0 CA--C 1.536 1.398 0 O-C-N 123.508 0.505 . . . . 0.0 112.838 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -117.17 159.88 21.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 117.287 0.544 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.497 HG22 HG22 ' A' ' 22' ' ' THR . 25.6 p -99.71 160.38 14.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.455 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.42 -42.45 98.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.083 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.0 p -58.48 -31.07 67.49 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.338 0.399 . . . . 0.0 110.76 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.21 -22.79 65.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.518 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.26 9.53 39.43 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 57.42 37.73 27.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.113 0.482 . . . . 0.0 110.635 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -92.03 125.45 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -98.41 -175.82 3.21 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.336 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.34 143.6 56.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.38 79.46 0.14 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -126.32 151.58 47.36 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.422 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 m -101.46 112.52 25.08 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.312 0.383 . . . . 0.0 110.927 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 45' ' ' PHE . 47.3 mt -98.93 141.49 31.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -95.19 124.81 39.43 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.512 0.508 . . . . 0.0 110.219 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.07 136.28 47.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.331 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG22 HD11 ' A' ' 8' ' ' LEU . 56.9 t -123.45 147.0 27.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 40' ' ' GLN . 14.5 tp -115.81 123.58 48.55 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -92.64 93.12 8.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.6 149.62 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.616 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 58.27 155.72 0.02 OUTLIER 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.884 0.74 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.26 -129.5 6.46 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.005 -1.442 . . . . 0.0 110.853 179.803 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.76 137.4 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.093 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 7.1 m -64.02 142.23 58.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.228 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -136.32 150.83 49.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.508 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.2 m -134.82 132.76 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.068 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -69.61 145.73 52.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.754 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.15 121.26 75.49 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.887 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -68.26 -15.95 43.27 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.224 1.949 . . . . 0.0 112.851 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.458 HG22 ' HA2' ' A' ' 47' ' ' GLY . 31.6 t -83.72 -54.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.057 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.0 p -116.65 -6.42 11.61 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.729 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.95 69.57 1.24 Allowed Glycine 0 C--N 1.34 0.762 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 77.1 t -134.11 137.14 52.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.427 ' C ' HG13 ' B' ' 211' ' ' ILE . 15.9 m120 -68.94 129.75 40.82 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.427 HG13 ' C ' ' B' ' 210' ' ' ASN . 72.3 mt -152.99 142.22 14.61 Favored Pre-proline 0 CA--C 1.544 0.72 0 O-C-N 123.353 0.408 . . . . 0.0 110.589 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.96 160.73 24.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.981 1.787 . . . . 0.0 111.102 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.439 ' O ' HG22 ' B' ' 216' ' ' ILE . 97.5 mt-10 -68.16 -29.37 68.23 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.425 0.453 . . . . 0.0 111.216 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 79.8 p -84.12 11.43 8.07 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.38 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -132.31 -12.61 3.13 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.439 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.0 tp -66.69 -39.52 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 122.96 0.162 . . . . 0.0 111.247 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.34 -47.33 86.53 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.381 0.426 . . . . 0.0 110.531 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -69.74 -44.97 69.18 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.02 -36.74 73.12 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 44' ' ' ILE . 28.7 mt -60.95 -40.21 92.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.276 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.17 -35.09 79.65 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.2 p -77.6 -41.25 39.33 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.64 94.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.809 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.61 -38.96 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 58.2 m -61.48 -38.47 87.4 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.86 -48.15 83.13 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.412 0.445 . . . . 0.0 110.424 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -40.38 -46.14 2.31 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.884 0.74 . . . . 0.0 111.181 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.86 -54.72 7.34 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 123.61 0.569 . . . . 0.0 110.008 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -42.09 -56.45 2.84 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.638 0.586 . . . . 0.0 110.946 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.1 -50.78 52.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.462 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 63.53 -75.22 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.596 0.56 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 47.5 t -160.01 165.76 31.3 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' B' ' 234' ' ' ARG . 72.7 mt -108.82 115.89 30.95 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.306 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 234' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' B' ' 233' ' ' LEU . 82.1 mtp180 4.04 -81.15 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.148 1.53 . . . . 0.0 111.885 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 62.9 m -135.17 150.77 50.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 28.2 t -72.99 146.09 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.978 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.91 130.57 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.41 -41.48 96.6 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.501 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -82.74 144.99 29.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.64 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HB2' HG23 ' A' ' 17' ' ' VAL . 75.7 mtp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -84.31 100.85 11.52 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 pt -114.46 141.7 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.288 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' HD1' ' HG1' ' A' ' 14' ' ' THR . 89.8 m-85 -101.13 141.19 34.38 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.554 0.534 . . . . 0.0 109.703 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.441 ' HB ' HG23 ' A' ' 13' ' ' ILE . 60.1 t -118.04 133.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -125.64 119.21 27.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.858 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 p -80.73 164.97 22.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.036 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD11 HG22 ' A' ' 70' ' ' VAL . 86.8 mt -63.1 -25.43 68.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.679 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.1 p -74.59 -17.3 60.74 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 123.541 0.525 . . . . 0.0 111.552 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.83 -5.73 32.7 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.831 -0.427 . . . . 0.0 112.486 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.94 151.93 38.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.131 0.466 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 m -133.44 127.51 33.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.739 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.441 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.6 tt -134.19 129.36 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.778 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.435 ' HG1' ' HD1' ' A' ' 4' ' ' PHE . 18.8 m -90.04 127.25 36.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -126.92 135.39 50.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.344 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -94.53 140.11 30.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.708 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 1' ' ' MET . 29.1 m -150.4 -169.86 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.182 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -144.1 148.76 42.93 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 123.341 0.401 . . . . 0.0 110.527 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.81 -34.12 90.29 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.247 1.964 . . . . 0.0 111.998 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -82.7 -10.58 58.85 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.546 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.33 135.25 38.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 55' ' ' THR . 72.7 p -83.84 159.48 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.408 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.08 -42.34 92.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.34 -35.63 62.92 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.314 0.384 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.6 -39.28 80.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.95 -45.7 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.461 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.04 -47.21 78.29 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.135 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.4 -39.65 67.48 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.349 0.406 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.85 -42.64 99.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' A' ' 41' ' ' GLN . 93.5 mt -63.79 -43.16 97.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.331 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -43.94 -48.44 8.56 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 123.17 0.294 . . . . 0.0 110.797 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.36 -33.67 76.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -83.2 -46.05 13.16 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -104.56 -9.93 17.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.48 25.73 67.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.25 130.95 22.42 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 117.335 0.568 . . . . 0.0 110.894 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -56.87 139.34 89.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.266 1.977 . . . . 0.0 112.62 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.17 -38.98 93.26 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.39 2.06 . . . . 0.0 112.402 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.16 -36.77 82.86 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.74 -7.75 59.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' OE1' HG21 ' A' ' 30' ' ' ILE . 47.0 mt-30 -107.05 123.27 47.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.046 0.451 . . . . 0.0 111.361 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -119.81 115.41 23.79 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.319 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 69' ' ' LEU . 51.6 mt -96.94 135.45 38.91 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.474 0.484 . . . . 0.0 111.114 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.531 HD11 HD22 ' B' ' 220' ' ' LEU . 88.7 mt -126.91 143.28 40.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.301 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' HD1' HD23 ' A' ' 67' ' ' LEU . 89.6 t80 -135.06 138.96 44.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.978 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 22.16 0.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.7 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 98.21 -21.41 46.18 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 119.891 -0.394 . . . . 0.0 112.982 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.25 150.31 22.22 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.215 0.507 . . . . 0.0 110.573 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -77.56 146.86 36.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 110.923 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -88.76 126.16 35.21 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.183 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -76.73 125.32 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.457 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.02 -38.84 73.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.623 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.31 49.58 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 123.505 0.503 . . . . 0.0 112.905 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -114.72 158.97 21.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.073 0.436 . . . . 0.0 110.716 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 22' ' ' THR . 33.8 p -102.47 160.32 14.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.132 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.5 -40.26 90.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.945 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.5 t -59.33 -36.63 76.02 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.636 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -65.76 -18.42 65.32 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -98.98 2.38 46.32 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.06 42.63 25.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.285 0.564 . . . . 0.0 110.513 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.55 119.94 43.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -88.07 -179.81 6.26 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -72.15 149.74 44.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 58.54 75.32 0.4 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.861 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.1 p -131.54 149.91 52.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.739 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -102.43 119.0 38.09 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.399 0.437 . . . . 0.0 110.657 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD23 ' HD1' ' A' ' 45' ' ' PHE . 62.9 mt -102.01 151.25 22.36 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -103.53 126.44 50.68 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.053 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 43' ' ' LEU . 20.6 tp -112.55 137.49 50.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.683 HG22 HD11 ' A' ' 8' ' ' LEU . 46.9 t -129.73 146.28 34.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -100.97 137.75 38.94 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.816 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -103.03 86.99 2.8 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.745 0.653 . . . . 0.0 109.518 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 mt -86.55 3.88 42.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.911 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -135.82 122.45 20.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.06 33.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.718 0 CA-C-O 117.989 -1.45 . . . . 0.0 110.931 -179.806 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.47 131.28 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.563 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 200' ' ' THR . . . . . 0.44 HG22 ' N ' ' B' ' 201' ' ' LYS . 24.0 m -73.87 159.53 32.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.271 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 201' ' ' LYS . . . . . 0.44 ' N ' HG22 ' B' ' 200' ' ' THR . 98.5 mttt -138.91 153.49 48.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.64 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 216' ' ' ILE . 30.5 m -139.96 136.1 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.135 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.32 150.13 45.44 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.852 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.34 119.93 69.13 Favored Pre-proline 0 CA--C 1.544 0.745 0 O-C-N 123.25 0.344 . . . . 0.0 110.232 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -67.3 -13.57 39.91 Favored 'Trans proline' 0 N--CA 1.508 2.334 0 C-N-CA 122.298 1.999 . . . . 0.0 112.817 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' GLY . 17.3 t -87.75 -52.04 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.115 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.447 ' SG ' HG23 ' B' ' 209' ' ' VAL . 12.5 p -122.12 -14.65 7.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.754 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 64.64 75.03 0.41 Allowed Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.447 HG23 ' SG ' ' B' ' 207' ' ' CYS . 63.4 t -135.36 137.86 49.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.425 ' C ' HG13 ' B' ' 211' ' ' ILE . 10.1 m120 -68.37 124.16 22.76 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.425 HG13 ' C ' ' B' ' 210' ' ' ASN . 65.2 mt -151.69 141.16 14.17 Favored Pre-proline 0 CA--C 1.541 0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.743 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.17 158.4 18.19 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.815 1.677 . . . . 0.0 111.041 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.613 ' O ' HG22 ' B' ' 216' ' ' ILE . 97.1 mt-10 -66.96 -14.49 62.9 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.446 0.466 . . . . 0.0 111.465 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 20.3 m -87.67 -44.59 11.08 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.216 0.323 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -79.05 -7.39 58.08 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.914 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.613 HG22 ' O ' ' B' ' 213' ' ' GLU . 9.2 tp -66.33 -39.74 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 O-C-N 123.152 0.283 . . . . 0.0 111.236 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.93 -46.88 87.38 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.403 0.439 . . . . 0.0 110.374 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -68.5 -44.1 75.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.787 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -57.84 -35.73 71.32 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 44' ' ' ILE . 33.3 mt -61.67 -38.25 87.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.243 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.13 -35.87 81.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.2 p -76.24 -41.16 50.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -47.52 68.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.789 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.65 -39.95 95.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.703 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 39.6 t -59.11 -38.34 79.34 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -54.5 -45.16 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.921 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -53.25 -40.51 64.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.58 -26.55 60.0 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.513 0.508 . . . . 0.0 111.174 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -70.76 -45.14 65.33 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.118 0.261 . . . . 0.0 110.733 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.9 -50.31 64.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.302 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 39.92 82.5 0.02 OUTLIER 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.361 0.413 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 7.1 p -136.25 138.84 42.23 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.476 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.68 -37.29 67.94 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.565 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.53 -38.25 83.81 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 35.4 t -52.38 -31.49 34.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.726 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 51.4 p -57.66 -34.85 69.81 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.323 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 55.3 t -110.51 134.65 52.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.899 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -98.75 126.41 44.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.292 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -62.01 -41.15 97.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.458 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttp . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -86.48 122.77 30.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.465 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -126.66 156.95 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.87 146.24 38.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.62 0.575 . . . . 0.0 109.591 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.423 ' HB ' HG23 ' A' ' 13' ' ' ILE . 57.6 t -127.06 137.04 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -126.57 120.31 29.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.909 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 69' ' ' LEU . 72.5 p -79.75 165.19 23.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.855 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 70' ' ' VAL . 81.2 mt -65.08 -23.22 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.622 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 p -75.59 -16.83 60.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.359 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 -6.41 35.9 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.874 -0.403 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.43 149.29 48.73 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.169 0.485 . . . . 0.0 109.832 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -128.1 127.07 42.39 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.7 tt -130.17 135.76 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.757 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -98.44 122.97 42.29 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -117.49 134.53 54.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.446 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -98.95 114.83 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.676 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -141.83 173.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -123.05 153.24 64.29 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.247 0.342 . . . . 0.0 110.689 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.48 -35.54 92.41 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.217 1.945 . . . . 0.0 111.972 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -68.29 -22.5 64.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.616 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -71.03 138.37 49.8 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.192 0.307 . . . . 0.0 110.327 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 55' ' ' THR . 12.9 p -84.18 161.62 20.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.56 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.22 -43.07 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.682 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.45 -33.66 69.97 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.471 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.19 -40.23 78.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.722 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.76 -44.26 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.476 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.25 -49.57 69.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.339 0.399 . . . . 0.0 110.254 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.7 64.02 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.285 0.366 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.44 -42.46 99.48 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.04 -42.76 97.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -51.95 -39.68 59.64 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.7 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.62 -35.65 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -83.75 -43.92 14.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -97.14 -12.74 22.72 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.84 20.34 77.52 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.17 133.18 20.34 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 117.406 0.603 . . . . 0.0 110.835 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.49 145.74 36.09 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.105 1.87 . . . . 0.0 112.753 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.98 -32.33 35.4 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.364 2.043 . . . . 0.0 112.16 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -70.69 -23.47 62.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.462 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -93.0 9.12 37.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB3' HD11 ' A' ' 69' ' ' LEU . 73.2 mt-30 -123.18 131.5 53.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.02 0.438 . . . . 0.0 111.207 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -123.61 121.3 35.23 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.152 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -98.47 136.32 38.77 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.326 0.391 . . . . 0.0 111.353 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.528 HD11 HD22 ' B' ' 220' ' ' LEU . 96.7 mt -125.16 139.81 50.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.156 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 75.3 t80 -142.44 119.58 11.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.948 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 71.98 23.21 3.55 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.774 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 9.61 68.42 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 121.58 -0.343 . . . . 0.0 113.024 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -133.4 149.28 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.186 0.493 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -76.06 159.9 30.33 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.093 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -104.0 114.55 28.87 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.13 128.18 34.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.403 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -57.3 -35.34 69.7 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.507 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 12.12 47.32 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.556 0.535 . . . . 0.0 113.014 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.7 mmt-85 -115.85 162.44 17.31 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.994 0.397 . . . . 0.0 110.699 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 22' ' ' THR . 73.4 p -105.83 160.22 15.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.66 -41.48 99.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.229 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.8 p -60.78 -32.45 71.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.14 -17.28 63.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.881 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.54 11.25 39.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.25 48.72 16.7 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.292 0.568 . . . . 0.0 110.64 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.8 mt -101.67 120.65 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -93.62 -176.6 4.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.01 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.48 141.28 58.55 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 54.25 90.56 0.03 OUTLIER 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -135.06 149.83 50.17 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.783 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 m -101.43 113.34 26.36 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.347 0.404 . . . . 0.0 110.759 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.6 mt -98.27 153.53 18.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.214 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -101.9 124.97 48.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.992 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 7' ' ' THR . 17.7 tp -107.67 134.46 50.62 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.195 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 8' ' ' LEU . 45.2 t -131.83 147.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -98.94 131.45 45.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.87 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -96.31 89.92 5.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.95 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.6 tp -78.95 142.67 36.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.261 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -65.02 -43.72 91.53 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.86 46.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.982 -1.455 . . . . 0.0 110.929 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.02 131.17 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.492 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 3.2 t -131.65 135.15 46.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.64 148.57 51.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.482 HG23 HD13 ' B' ' 216' ' ' ILE . 27.3 m -138.84 135.44 42.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.266 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -70.05 146.88 50.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.928 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.9 t -87.69 121.63 70.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.207 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.08 -12.9 30.95 Favored 'Trans proline' 0 N--CA 1.507 2.287 0 C-N-CA 121.912 1.742 . . . . 0.0 112.833 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.63 -51.99 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.822 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 12.4 p -120.96 -9.57 9.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.774 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.26 75.68 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 70.7 t -138.17 140.16 40.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.486 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.0 m120 -68.19 123.36 20.5 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.63 HD13 ' CG ' ' B' ' 219' ' ' HIS . 55.4 mt -148.38 141.81 15.76 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 151.69 45.4 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.929 1.752 . . . . 0.0 110.895 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.562 ' O ' HG22 ' B' ' 216' ' ' ILE . 70.8 tt0 -63.56 -17.8 63.21 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 59.5 p -87.25 -43.65 12.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -75.71 -1.06 23.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.066 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.562 HG22 ' O ' ' B' ' 213' ' ' GLU . 9.3 tp -66.53 -39.8 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 123.225 0.328 . . . . 0.0 111.286 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -62.7 -50.23 71.97 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.491 0.494 . . . . 0.0 110.539 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.67 -43.21 90.03 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.63 ' CG ' HD13 ' B' ' 211' ' ' ILE . 83.3 t60 -58.96 -42.18 89.27 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 44' ' ' ILE . 28.8 mt -60.36 -38.55 84.21 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.21 -36.02 80.67 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.603 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 5.1 t -78.84 -48.23 15.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.63 -43.28 89.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.678 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.53 -39.74 92.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 58.8 m -57.06 -35.87 69.85 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -56.8 -46.22 81.72 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.72 -34.92 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.711 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.68 -25.19 66.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.67 -45.35 65.23 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 123.245 0.341 . . . . 0.0 110.867 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -96.68 25.66 5.04 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -49.71 163.23 0.13 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 22.0 p 55.98 -165.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.664 0.602 . . . . 0.0 109.913 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 78.8 mt -135.15 -36.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.567 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.52 -43.36 73.19 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.72 0.637 . . . . 0.0 110.841 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 36.7 t -64.11 -43.66 94.66 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.295 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 29.4 t -61.19 138.29 58.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.51 150.9 24.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 O-C-N 123.705 0.628 . . . . 0.0 110.07 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.0 147.8 36.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -124.71 145.71 49.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.6 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.623 179.737 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -83.8 122.68 29.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.271 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.68 150.23 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.232 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE1' HG23 ' A' ' 14' ' ' THR . 71.4 m-85 -104.74 144.43 31.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 13' ' ' ILE . 93.0 t -122.85 137.2 57.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -129.77 121.94 27.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.724 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.4 p -80.41 165.24 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.96 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD13 HG21 ' B' ' 202' ' ' VAL . 74.7 mt -64.72 -22.4 66.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.554 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.8 p -77.45 -18.66 56.98 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.473 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.37 26.85 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.87 -0.406 . . . . 0.0 112.404 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.47 148.07 34.32 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.212 0.506 . . . . 0.0 109.838 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m -130.06 126.99 38.98 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.8 tt -132.47 132.47 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.758 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.466 HG23 ' CE1' ' A' ' 4' ' ' PHE . 25.0 m -94.41 124.33 38.37 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -119.05 140.35 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.416 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -103.89 120.39 40.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.714 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.55 176.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.154 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.87 152.56 62.84 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 123.436 0.46 . . . . 0.0 110.591 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.01 -25.84 72.26 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.213 1.942 . . . . 0.0 111.943 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -77.28 -21.5 53.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.612 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -69.86 140.93 53.28 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.182 0.301 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -81.93 159.3 23.65 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -60.66 -42.21 91.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.78 -34.39 74.42 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.404 0.44 . . . . 0.0 110.147 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -66.93 -40.38 87.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.481 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.52 -44.65 99.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.495 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.78 -47.81 73.47 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.326 0.391 . . . . 0.0 110.495 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.09 66.2 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.35 0.406 . . . . 0.0 110.776 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.27 -42.45 99.35 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.42 -42.4 96.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.319 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -48.43 -43.1 33.97 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.145 0.278 . . . . 0.0 110.804 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -67.02 -35.64 80.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.272 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -83.27 -43.45 16.03 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -95.47 -12.53 25.7 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.23 70.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -104.89 140.01 20.66 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 117.195 0.497 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.29 130.62 41.14 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.269 1.979 . . . . 0.0 112.701 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.99 -36.62 96.19 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.443 2.095 . . . . 0.0 112.166 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.39 -34.34 76.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.485 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.29 3.25 47.49 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -109.17 126.92 53.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.948 0.404 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -123.66 124.66 43.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.128 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 69' ' ' LEU . 39.6 mt -106.31 134.65 49.12 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.334 0.396 . . . . 0.0 111.189 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 48' ' ' LYS . 76.1 mt -125.49 135.08 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.123 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -125.29 129.76 50.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.043 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.11 17.14 2.55 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.574 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.47 59.13 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 119.73 -0.484 . . . . 0.0 112.848 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 52.2 mtmt -109.77 145.85 35.97 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.576 0.688 . . . . 0.0 110.4 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.4 124.55 28.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.65 104.03 9.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.446 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -67.43 135.46 53.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.726 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.17 -35.68 73.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.242 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.15 6.25 50.96 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 123.386 0.428 . . . . 0.0 112.869 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -116.56 161.58 18.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.072 0.436 . . . . 0.0 110.638 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.3 p -106.34 162.5 13.63 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.179 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.95 -41.6 92.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.872 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -61.15 -37.56 83.31 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.268 0.355 . . . . 0.0 110.602 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.19 -16.28 59.64 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.887 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -103.4 12.51 35.22 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 57.45 45.27 20.0 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 110.823 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.91 119.47 46.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -94.47 -177.83 4.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.993 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.94 145.06 54.91 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.114 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 52.8 87.64 0.03 OUTLIER 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -141.06 155.33 46.17 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.75 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -104.17 120.17 40.55 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.675 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' ' 5' ' ' VAL . 63.9 mt -99.59 158.61 15.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.541 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -111.1 121.01 44.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.05 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 43' ' ' LEU . 17.6 tp -103.09 136.46 42.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.124 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.7 t -118.48 146.44 23.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 tp -102.74 130.15 49.6 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.66 -0.416 . . . . 0.0 109.987 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -99.65 5.53 45.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.71 -38.52 64.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.547 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -105.04 132.54 51.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.71 -29.13 11.31 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 CA-C-O 118.05 -1.417 . . . . 0.0 110.965 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 60.3 t -117.45 133.52 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 200' ' ' THR . . . . . 0.454 HG22 ' N ' ' B' ' 201' ' ' LYS . 14.9 m -59.99 162.17 5.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 201' ' ' LYS . . . . . 0.454 ' N ' HG22 ' B' ' 200' ' ' THR . 98.2 mttt -139.6 156.07 47.08 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.623 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 8' ' ' LEU . 27.7 m -149.47 144.72 17.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.949 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.16 147.39 48.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 54.0 t -85.92 127.6 61.57 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -70.69 -16.22 33.63 Favored 'Trans proline' 0 N--CA 1.506 2.237 0 C-N-CA 121.759 1.639 . . . . 0.0 112.821 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 44.8 t -88.89 -50.13 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.927 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.429 ' SG ' HG23 ' B' ' 209' ' ' VAL . 8.1 p -124.02 -12.84 7.43 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.769 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.01 78.86 0.11 Allowed Glycine 0 C--N 1.332 0.307 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.429 HG23 ' SG ' ' B' ' 207' ' ' CYS . 79.8 t -137.42 139.48 43.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.431 ' C ' HG13 ' B' ' 211' ' ' ILE . 26.3 m120 -68.11 124.3 23.06 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.431 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.5 mt -152.31 140.86 13.75 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 123.532 0.52 . . . . 0.0 110.928 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.6 155.62 25.6 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.016 1.81 . . . . 0.0 110.686 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.92 -35.69 75.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.299 0.375 . . . . 0.0 110.906 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 76.3 p -70.1 -41.11 74.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.787 0.327 . . . . 0.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -72.98 -12.84 61.09 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.153 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.1 mm -65.63 -42.38 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 O-C-N 122.893 0.121 . . . . 0.0 110.861 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -58.3 -44.94 88.77 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.368 0.417 . . . . 0.0 110.157 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.84 -40.37 61.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.161 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -57.98 -44.0 86.87 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.602 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.0 -39.31 85.34 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.29 -35.43 78.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 55.1 p -80.06 -51.79 8.6 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.474 0.484 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.25 -43.33 70.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.606 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.68 -38.41 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.748 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.0 m -58.23 -36.73 73.61 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -56.07 -45.26 79.36 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.377 0.423 . . . . 0.0 109.998 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -50.46 -52.97 33.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.625 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -72.47 -27.21 62.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.28 -36.47 84.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.506 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.5 -73.72 0.11 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.18 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 40.55 85.54 0.02 OUTLIER 'General case' 0 C--O 1.238 0.48 0 O-C-N 123.518 0.511 . . . . 0.0 111.033 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 35.6 t -140.78 140.68 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.689 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.3 -44.65 78.7 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.86 132.83 37.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 92.4 p -161.67 157.77 24.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.044 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 27.1 m -132.15 116.18 16.68 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.288 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 61.5 t -131.44 134.04 61.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -110.95 94.4 4.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.246 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.98 -40.15 95.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.682 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttt85 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.247 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -87.49 120.21 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.297 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.2 pt -123.41 162.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.222 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.82 143.05 48.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' HB ' HG23 ' A' ' 13' ' ' ILE . 57.2 t -122.12 135.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -122.49 116.31 23.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.636 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.518 HG22 HD23 ' A' ' 69' ' ' LEU . 78.3 p -79.33 164.28 24.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.99 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.11 -23.99 67.53 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.522 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -75.55 -16.46 60.26 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -15.23 40.45 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 120.005 -0.331 . . . . 0.0 112.385 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.26 149.69 23.66 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 m -126.76 128.2 46.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.604 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG23 ' HB ' ' A' ' 5' ' ' VAL . 13.3 tt -129.79 130.29 66.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.809 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -94.37 123.33 37.71 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 tp -117.12 133.33 56.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.26 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.16 115.79 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.084 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.3 177.36 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.173 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.89 150.19 71.0 Favored Pre-proline 0 CA--C 1.538 0.518 0 O-C-N 123.264 0.352 . . . . 0.0 110.533 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.41 -31.09 76.19 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.288 1.992 . . . . 0.0 111.92 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -74.58 -21.09 59.67 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.478 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.15 141.0 52.7 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.19 0.306 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -84.71 159.44 20.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.568 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.06 -43.0 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.43 -32.06 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.291 0.369 . . . . 0.0 110.236 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.61 -39.19 70.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.573 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.21 -45.58 98.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.594 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.64 -49.73 72.09 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.372 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.73 63.59 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.75 -41.98 99.46 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.44 . . . . 0.0 109.879 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.54 -42.7 96.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.245 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -52.0 -38.12 55.67 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.237 0.336 . . . . 0.0 110.354 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.54 -34.2 77.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -94.09 -30.55 14.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.14 -14.72 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.97 18.79 71.11 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.2 mt -110.86 134.07 21.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 117.368 0.584 . . . . 0.0 110.85 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.94 146.14 81.27 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.201 1.934 . . . . 0.0 112.703 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.5 -31.32 87.63 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.367 2.045 . . . . 0.0 112.298 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.17 -39.74 93.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.216 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -80.62 -4.08 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -114.37 130.09 56.67 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.936 0.398 . . . . 0.0 111.299 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -124.98 131.18 53.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.279 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.07 133.87 51.75 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.352 0.408 . . . . 0.0 111.177 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.0 139.61 48.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.176 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 73.4 t80 -139.7 121.23 15.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.911 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 70.65 23.94 4.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.758 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.13 18.46 64.85 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-O 119.904 -0.386 . . . . 0.0 112.865 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -138.31 150.47 46.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 117.197 0.498 . . . . 0.0 110.648 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -73.06 159.75 33.12 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.947 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.59 120.56 42.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -69.89 120.7 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.413 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.09 -25.23 66.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.822 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.31 7.86 81.1 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 123.354 0.409 . . . . 0.0 112.982 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -116.09 175.82 5.37 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 117.083 0.442 . . . . 0.0 110.485 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.0 162.03 15.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.137 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.97 -41.0 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.363 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 m -57.62 -31.11 65.92 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.17 0.293 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -72.46 -7.38 49.54 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.149 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -109.11 11.07 25.86 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 m120 58.28 38.08 26.06 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.004 0.43 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -92.18 125.85 44.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -106.72 -172.36 2.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.81 133.83 55.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 56.52 91.69 0.03 OUTLIER 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.761 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.4 m -130.95 147.56 52.61 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.679 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -100.7 110.38 22.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 45' ' ' PHE . 59.9 mt -96.58 151.19 19.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.339 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.21 129.74 48.68 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.047 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 7' ' ' THR . 17.2 tp -109.6 134.92 51.36 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.07 151.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.94 124.97 51.53 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.31 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -94.0 90.99 6.66 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.857 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.7 tp -74.63 142.83 44.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.247 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.52 145.11 29.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.395 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.01 51.99 0.72 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.831 0 CA-C-O 117.944 -1.476 . . . . 0.0 110.94 -179.859 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.0 t -93.03 129.31 43.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.474 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 18.7 m -69.61 138.3 53.01 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.386 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -129.01 144.1 51.08 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.426 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.71 132.59 54.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -69.29 146.44 52.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.726 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.59 123.33 74.59 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.172 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -72.29 -13.98 28.25 Favored 'Trans proline' 0 N--CA 1.504 2.115 0 C-N-CA 122.017 1.812 . . . . 0.0 112.787 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.1 t -84.15 -52.69 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.016 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 13.0 p -119.42 -6.62 10.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.487 -1.233 . . . . 0.0 112.82 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 57.21 73.36 0.46 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 70.0 t -136.45 139.08 45.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.471 ' C ' HG13 ' B' ' 211' ' ' ILE . 15.1 t-20 -68.96 126.52 30.05 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.471 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.0 mt -151.12 142.15 15.13 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 123.481 0.488 . . . . 0.0 110.98 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.16 159.51 30.13 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.111 1.874 . . . . 0.0 110.862 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.462 ' O ' HG22 ' B' ' 216' ' ' ILE . 71.4 tt0 -70.32 -28.59 65.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.382 0.426 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 5.4 m -83.49 11.98 6.25 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.253 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -133.69 -6.58 2.84 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.462 HG22 ' O ' ' B' ' 213' ' ' GLU . 7.9 tp -67.13 -38.81 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 O-C-N 123.013 0.196 . . . . 0.0 111.28 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -59.79 -50.34 74.19 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.387 0.429 . . . . 0.0 110.454 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -67.15 -43.13 83.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.46 ' CG ' HD13 ' B' ' 211' ' ' ILE . 83.7 t60 -57.73 -42.84 84.69 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.679 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.76 -38.24 87.26 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.197 0.311 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.79 -34.74 74.96 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.734 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 63.2 m -85.45 -44.5 12.68 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 2.3 t -60.12 -46.42 89.68 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.693 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.5 mt -65.46 -39.83 92.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 28.6 p -58.31 -35.45 71.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -58.99 -45.26 91.06 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -60.1 -32.69 71.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.299 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.14 -18.59 61.27 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.47 0.481 . . . . 0.0 111.348 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -72.94 -37.21 67.23 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.219 0.324 . . . . 0.0 110.831 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.54 -42.69 88.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 123.479 0.487 . . . . 0.0 110.769 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.76 122.32 15.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.649 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 33.7 p -153.21 153.22 32.29 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.927 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 73.8 mt -124.58 128.05 48.31 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.956 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.87 -41.52 97.73 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.538 0.524 . . . . 0.0 110.755 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 15.3 p -112.59 108.68 17.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 90.1 p -169.91 111.53 0.45 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 237' ' ' VAL . . . . . 0.481 HG11 ' OXT' ' B' ' 240' ' ' ARG . 15.0 p -129.69 137.14 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.063 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -66.9 -46.02 76.16 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.812 0.695 . . . . 0.0 110.817 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.85 141.83 38.83 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 240' ' ' ARG . . . . . 0.481 ' OXT' HG11 ' B' ' 237' ' ' VAL . 62.0 ttp180 . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.345 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptt? . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -80.76 122.88 27.7 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 124.046 0.841 . . . . 0.0 109.373 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -124.76 156.72 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.096 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -112.69 144.51 42.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 13' ' ' ILE . 59.5 t -126.84 135.45 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -127.41 121.13 30.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.041 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.3 p -80.18 167.81 19.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.939 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD13 HG21 ' B' ' 202' ' ' VAL . 77.8 mt -63.83 -23.35 67.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.427 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.5 p -75.31 -16.66 60.4 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.412 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.7 -13.28 42.36 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.871 -0.405 . . . . 0.0 112.453 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.47 152.13 18.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 117.162 0.481 . . . . 0.0 109.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -128.85 129.45 45.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.794 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' HB ' ' A' ' 5' ' ' VAL . 14.4 tt -131.38 134.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.491 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.5 m -97.55 122.0 40.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.62 137.62 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.091 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -103.29 115.63 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.473 HG11 HG13 ' A' ' 26' ' ' VAL . 30.7 m -138.64 159.56 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.143 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.25 148.88 37.46 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.535 0.522 . . . . 0.0 110.667 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 -31.43 66.74 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 122.223 1.949 . . . . 0.0 111.893 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 m -71.92 -25.11 61.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.781 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.2 139.67 57.41 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.142 0.277 . . . . 0.0 110.382 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 55' ' ' THR . 17.9 p -83.19 159.14 22.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.82 -42.92 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -59.52 -35.02 73.37 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.347 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.66 -40.42 80.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.546 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG13 HG11 ' A' ' 17' ' ' VAL . 92.1 t -61.78 -45.49 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.37 -45.94 76.52 Favored 'General case' 0 N--CA 1.462 0.127 0 O-C-N 123.444 0.465 . . . . 0.0 110.287 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.44 -41.6 63.41 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.318 0.386 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.09 -42.19 99.55 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.49 -42.97 98.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.667 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.53 -41.69 31.0 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.197 0.31 . . . . 0.0 110.59 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.02 -34.92 76.01 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.908 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.4 -44.43 16.11 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HG2' HD12 ' A' ' 36' ' ' ILE . 27.0 tp10 -96.52 -11.34 25.61 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.0 19.82 74.1 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.036 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 34' ' ' GLU . 64.8 mt -108.79 138.6 20.35 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 117.351 0.575 . . . . 0.0 110.763 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.48 144.32 94.52 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.148 1.899 . . . . 0.0 112.707 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -55.97 -37.85 95.48 Favored 'Trans proline' 0 N--CA 1.5 1.899 0 C-N-CA 122.47 2.114 . . . . 0.0 112.231 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.99 -34.63 77.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.443 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -81.62 -8.17 59.68 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 69' ' ' LEU . 32.6 mt-30 -117.71 130.43 56.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 111.549 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 69' ' ' LEU . 96.3 mtt180 -124.58 127.7 47.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.116 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' CD2' HD13 ' A' ' 69' ' ' LEU . 49.0 mt -100.86 136.24 41.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 111.406 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.525 HD11 HD22 ' B' ' 220' ' ' LEU . 86.7 mt -125.3 138.14 55.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.413 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HD1' HD23 ' A' ' 67' ' ' LEU . 63.3 t80 -128.56 128.55 44.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.346 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.94 18.3 1.61 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.856 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.54 1.79 57.69 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.699 -0.501 . . . . 0.0 113.129 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -109.63 142.85 40.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.513 0.656 . . . . 0.0 110.516 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.74 118.33 21.45 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.237 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 45' ' ' PHE . 79.1 mt -70.05 105.29 2.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.684 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -65.7 134.75 53.88 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.485 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.48 -37.99 76.68 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.355 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.89 7.61 49.6 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 123.363 0.414 . . . . 0.0 112.541 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -113.7 156.41 23.81 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 117.168 0.484 . . . . 0.0 110.696 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 22' ' ' THR . 82.8 p -100.26 161.75 13.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.931 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.08 -41.97 98.72 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.251 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.5 p -60.47 -32.63 71.59 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.263 0.352 . . . . 0.0 110.612 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.88 -13.97 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.719 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -105.29 9.15 34.0 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.9 m120 57.55 54.56 6.34 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.409 0.623 . . . . 0.0 110.7 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.3 mt -106.2 120.92 57.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -98.66 -175.09 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.24 140.1 58.13 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 55.44 81.88 0.11 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -129.66 150.64 50.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.538 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.3 m -103.08 114.78 29.35 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.396 0.435 . . . . 0.0 110.91 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD23 ' HD1' ' A' ' 45' ' ' PHE . 50.3 mt -105.46 132.72 51.28 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.049 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -92.46 128.42 38.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.138 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 41' ' ' GLN . 22.4 tp -107.02 138.13 43.78 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -114.06 149.31 16.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.08 128.12 54.09 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -100.93 86.65 3.11 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.846 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.16 151.05 38.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -94.84 129.25 41.9 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.182 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.87 -55.74 29.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.734 0 CA-C-O 117.927 -1.485 . . . . 0.0 110.836 179.827 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.2 t -106.24 127.92 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 25.6 m -128.91 146.41 50.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -127.08 148.31 50.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 8' ' ' LEU . 28.8 m -152.29 146.77 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.016 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.63 149.66 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.093 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -84.46 122.68 75.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.57 -15.65 41.66 Favored 'Trans proline' 0 N--CA 1.506 2.229 0 C-N-CA 121.954 1.77 . . . . 0.0 112.838 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.74 -55.29 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.218 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.3 p -114.85 -7.17 12.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.629 -1.168 . . . . 0.0 112.889 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.72 1.54 Allowed Glycine 0 C--N 1.336 0.565 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 76.1 t -135.04 137.72 50.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.432 ' C ' HG13 ' B' ' 211' ' ' ILE . 27.3 t-20 -69.19 125.69 27.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' B' ' 219' ' ' HIS . 69.6 mt -152.58 139.76 12.78 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 123.441 0.463 . . . . 0.0 110.846 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -54.88 152.76 27.65 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.015 1.81 . . . . 0.0 110.608 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -58.04 -39.67 78.97 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.275 0.359 . . . . 0.0 111.063 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 77.3 p -69.77 -37.86 76.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.307 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -72.59 -13.35 61.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.132 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.6 mm -66.4 -43.01 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 119.786 -0.15 . . . . 0.0 110.763 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -56.45 -50.13 72.57 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.42 0.45 . . . . 0.0 110.448 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.05 -42.41 76.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.112 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 219' ' ' HIS . . . . . 0.443 ' CG ' HD13 ' B' ' 211' ' ' ILE . 80.7 t60 -59.15 -35.97 74.44 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.931 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.525 HD22 HD11 ' A' ' 44' ' ' ILE . 30.4 mt -60.88 -38.68 86.5 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.152 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.03 -34.7 78.6 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.934 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 86.1 p -79.88 -41.53 26.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.7 -45.21 83.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.94 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.96 -39.2 93.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 43.9 m -58.15 -36.67 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -58.61 -49.55 77.09 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -55.03 -31.87 61.42 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.656 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -79.28 -18.7 52.18 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -79.54 -44.1 21.79 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 110.808 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 230' ' ' LYS . . . . . 0.516 ' HA ' HD11 ' B' ' 233' ' ' LEU . 44.1 tptt -62.15 -39.14 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.857 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -54.19 130.76 39.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 13.1 t 54.42 88.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 230' ' ' LYS . 16.2 mt -119.83 21.42 11.95 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.553 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -62.4 -44.69 95.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.274 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 1.6 t -146.98 -41.48 0.19 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.426 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 30.1 t -59.03 134.39 56.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 10.9 p -141.15 141.75 30.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.295 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -113.19 111.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.327 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -63.45 -42.53 98.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.603 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -73.98 126.07 29.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -122.37 162.65 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.323 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' HG23 ' A' ' 14' ' ' THR . 86.3 m-85 -121.8 141.52 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' HB ' HG23 ' A' ' 13' ' ' ILE . 48.9 t -121.56 133.05 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -124.49 122.66 38.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.608 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.558 HG22 HD23 ' A' ' 69' ' ' LEU . 64.8 p -79.77 163.58 24.34 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.912 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD11 HG22 ' A' ' 70' ' ' VAL . 81.9 mt -64.54 -22.99 67.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.532 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.5 p -77.02 -18.47 58.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.306 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.53 -8.72 26.26 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 119.898 -0.39 . . . . 0.0 112.363 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.26 150.52 34.47 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.172 0.486 . . . . 0.0 109.804 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -132.29 130.0 40.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' HD3' ' A' ' 33' ' ' LYS . 14.3 tt -134.22 131.72 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.712 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.451 HG23 ' CE2' ' A' ' 4' ' ' PHE . 24.8 m -94.95 124.15 38.83 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.8 tp -122.04 138.14 54.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.343 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -102.07 119.99 39.69 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.994 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.88 -168.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.278 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.43 149.01 68.35 Favored Pre-proline 0 CA--C 1.536 0.435 0 O-C-N 123.301 0.376 . . . . 0.0 110.624 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.28 -21.11 72.12 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 122.217 1.945 . . . . 0.0 111.998 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -84.9 -16.4 41.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.48 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -75.09 147.36 40.66 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.192 0.307 . . . . 0.0 110.508 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 p -85.7 155.78 20.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG22 ' HE2' ' A' ' 27' ' ' LYS . 43.8 mm -59.82 -43.51 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.854 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.37 -37.04 67.0 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.348 0.405 . . . . 0.0 110.397 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -67.78 -40.59 83.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.481 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.01 -46.14 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.537 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HE2' HG22 ' A' ' 23' ' ' ILE . 68.6 mttm -56.83 -45.85 82.05 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.393 0.433 . . . . 0.0 110.166 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.77 -41.91 64.51 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.302 0.376 . . . . 0.0 110.818 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.09 -42.11 98.88 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.88 -42.4 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.473 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -47.96 -42.78 28.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.04 -35.46 78.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.077 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HD3' HD11 ' A' ' 13' ' ' ILE . 68.4 mttm -80.55 -43.87 19.98 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -98.43 -9.51 25.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.14 22.78 74.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -112.78 132.94 22.05 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 117.273 0.537 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.8 148.21 67.69 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.202 1.935 . . . . 0.0 112.775 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.9 -32.59 76.91 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.4 2.067 . . . . 0.0 112.243 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -65.02 -35.62 81.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.558 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -82.96 0.23 45.53 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HB3' HD11 ' A' ' 69' ' ' LEU . 31.0 mt-30 -120.63 131.1 54.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 111.312 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -123.55 124.57 43.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.018 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 69' ' ' LEU . 64.4 mt -102.2 132.43 48.13 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.269 0.356 . . . . 0.0 111.322 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 HD22 ' B' ' 220' ' ' LEU . 84.8 mt -124.53 135.22 64.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.118 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -126.62 132.36 51.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.161 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.04 2.87 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.574 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.48 14.91 64.97 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 119.918 -0.379 . . . . 0.0 112.919 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' ILE . 48.7 mtmt -121.28 144.6 48.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.243 0.521 . . . . 0.0 110.54 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -79.72 124.82 28.93 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.06 105.34 12.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.358 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -67.65 136.27 54.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.768 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.74 -38.9 86.72 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.442 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 4.6 54.65 Favored Glycine 0 CA--C 1.533 1.205 0 O-C-N 123.482 0.489 . . . . 0.0 112.727 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -112.9 158.58 20.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 117.093 0.447 . . . . 0.0 110.517 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -102.29 160.32 14.63 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.21 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.87 -41.2 95.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.3 p -60.83 -32.0 71.39 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.211 0.319 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.32 -17.35 63.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.822 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -102.2 11.18 38.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 57.79 52.63 7.86 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.321 0.581 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -107.66 125.95 64.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -103.54 -174.5 2.56 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.638 0.586 . . . . 0.0 110.99 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.11 144.22 55.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 55.45 87.27 0.05 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.8 t -139.33 151.87 46.74 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.672 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.0 m -103.0 117.85 35.5 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.263 0.352 . . . . 0.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.7 mt -102.01 145.11 29.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.344 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -96.7 121.99 39.15 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.359 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 HG22 ' A' ' 7' ' ' THR . 15.5 tp -101.53 134.59 44.4 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG22 HD11 ' A' ' 8' ' ' LEU . 52.3 t -127.3 149.42 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.0 tp -106.09 130.2 54.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -102.95 90.35 3.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.11 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 148.5 42.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.232 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -77.67 147.36 35.55 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.168 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.81 173.23 16.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 118.058 -1.412 . . . . 0.0 110.864 -179.766 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.14 139.93 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.865 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 21.9 p -76.72 165.54 24.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.027 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -133.01 148.22 52.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.527 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.618 HG23 HD13 ' B' ' 216' ' ' ILE . 27.2 m -139.18 135.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.203 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -70.42 150.61 46.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.892 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.5 t -91.1 124.5 61.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.208 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -74.63 -10.26 21.75 Favored 'Trans proline' 0 N--CA 1.507 2.296 0 C-N-CA 121.999 1.799 . . . . 0.0 112.715 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 38.0 t -89.37 -49.3 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.652 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.442 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.4 p -123.77 -13.97 7.32 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.726 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 61.57 75.97 0.27 Allowed Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.442 HG23 ' SG ' ' B' ' 207' ' ' CYS . 74.6 t -136.34 138.93 46.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.412 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.5 m120 -68.38 124.62 24.02 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.412 HG13 ' C ' ' B' ' 210' ' ' ASN . 56.8 mt -151.23 141.67 14.72 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.777 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -55.95 156.08 20.98 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.03 1.82 . . . . 0.0 110.793 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.617 ' O ' HG22 ' B' ' 216' ' ' ILE . 78.0 tt0 -65.98 -17.0 64.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.399 0.437 . . . . 0.0 111.264 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 29.3 m -86.52 -43.66 12.56 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.277 0.36 . . . . 0.0 111.238 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -75.64 -6.5 50.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.618 HD13 HG23 ' B' ' 202' ' ' VAL . 9.1 tp -65.67 -39.12 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 O-C-N 123.194 0.309 . . . . 0.0 111.124 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -60.62 -53.31 58.96 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.441 0.463 . . . . 0.0 110.364 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.62 -43.25 94.35 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.98 -40.75 77.12 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.257 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.487 HD22 HD11 ' A' ' 44' ' ' ILE . 35.0 mt -62.58 -37.57 86.73 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.57 -36.67 84.56 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.8 p -78.64 -52.92 7.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.12 -43.02 70.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.764 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.0 mt -71.12 -34.26 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.628 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 43.6 t -58.83 -41.71 87.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.623 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -57.3 -42.5 81.88 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.77 -38.16 81.05 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.931 0.769 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -66.88 -21.24 66.01 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.496 0.498 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -82.55 -37.47 25.09 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 123.164 0.29 . . . . 0.0 110.852 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.65 -41.35 90.36 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -58.99 -67.5 0.36 Allowed 'General case' 0 C--O 1.232 0.184 0 O-C-N 123.155 0.284 . . . . 0.0 110.546 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 42.4 t -56.8 143.87 35.25 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.529 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 78.5 mt 55.14 97.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.675 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -60.91 137.5 58.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.746 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 37.8 m -100.8 164.08 12.02 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.014 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 22.8 p -69.24 159.76 32.44 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.163 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.09 134.8 29.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.88 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -122.07 137.23 54.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.425 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -109.28 143.78 38.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.222 -0.344 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.399 179.825 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.55 116.65 20.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.119 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.463 HD13 HG21 ' A' ' 17' ' ' VAL . 42.1 pt -121.21 145.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 14' ' ' THR . 65.4 m-85 -105.61 144.18 32.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.592 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.9 133.78 66.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -119.37 116.52 26.35 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.837 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 69' ' ' LEU . 82.0 p -79.45 164.35 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.751 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD11 HG22 ' A' ' 70' ' ' VAL . 79.6 mt -66.55 -25.13 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.356 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -75.46 -14.8 60.46 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.521 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.18 -9.38 42.59 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.955 -0.358 . . . . 0.0 112.426 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.03 152.85 39.13 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 117.129 0.464 . . . . 0.0 109.772 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -130.79 132.21 45.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.33 137.08 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.851 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' CE2' ' A' ' 4' ' ' PHE . 19.9 m -98.93 123.67 43.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 tp -123.15 143.92 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.269 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -106.61 125.34 50.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.934 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG21 HD13 ' A' ' 3' ' ' ILE . 30.4 m -139.1 169.11 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.277 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -117.87 147.99 42.36 Favored Pre-proline 0 CA--C 1.537 0.461 0 O-C-N 123.371 0.419 . . . . 0.0 110.578 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.95 -28.23 76.95 Favored 'Trans proline' 0 N--CA 1.503 2.07 0 C-N-CA 122.196 1.931 . . . . 0.0 111.927 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -84.71 -13.79 50.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.566 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.93 140.84 44.01 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.232 0.332 . . . . 0.0 110.311 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.0 p -84.59 159.08 20.7 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.452 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -61.46 -42.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.702 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.367 0.417 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.02 -40.14 75.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.5 -44.78 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.47 -39.58 67.61 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.306 0.379 . . . . 0.0 110.771 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.59 -42.12 99.37 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.99 -43.34 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.52 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -48.57 -41.11 29.57 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.352 0.407 . . . . 0.0 110.746 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.68 -36.54 80.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.86 -41.84 18.5 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -97.05 -10.89 25.2 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 21.11 71.61 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.01 135.51 20.84 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 117.258 0.529 . . . . 0.0 110.978 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.36 146.45 61.81 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.122 1.881 . . . . 0.0 112.754 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.2 -32.63 62.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.328 2.019 . . . . 0.0 112.362 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.26 -35.94 82.58 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.434 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -79.84 -1.84 40.76 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 69' ' ' LEU . 27.7 mt-30 -116.66 128.59 55.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 111.418 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -121.04 117.1 26.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.905 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 mt -92.87 139.24 30.75 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.325 0.391 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.9 mt -130.39 140.63 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.417 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 65.4 t80 -143.02 119.79 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.21 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 70.73 31.47 2.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.834 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.31 11.93 84.83 Favored Glycine 0 CA--C 1.537 1.442 0 CA-C-O 119.844 -0.42 . . . . 0.0 112.926 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -133.83 148.42 51.31 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.303 0.552 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.93 147.77 36.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.15 119.44 32.36 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.104 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -69.87 126.92 31.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.57 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -60.69 -36.2 78.19 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.477 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.79 6.75 60.99 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 123.484 0.49 . . . . 0.0 112.694 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -114.37 161.59 17.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 117.035 0.418 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.2 p -101.41 161.53 13.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.107 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.8 -41.65 96.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.173 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m -58.88 -36.64 74.99 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.276 0.36 . . . . 0.0 110.682 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.83 -16.04 63.46 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.842 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -103.96 8.91 36.82 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 55.38 53.09 10.34 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.248 0.547 . . . . 0.0 110.651 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.63 120.43 55.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -96.71 -174.94 3.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.085 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.97 147.34 43.12 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 60.44 55.12 3.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.988 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.6 m -109.95 144.81 37.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.671 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.8 m -103.54 119.96 39.93 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.372 0.42 . . . . 0.0 110.749 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 45' ' ' PHE . 52.7 mt -101.22 169.27 9.02 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.342 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -119.92 132.71 55.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.193 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 7' ' ' THR . 16.0 tp -110.82 133.29 53.48 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.145 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 8' ' ' LEU . 48.7 t -125.1 151.3 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.9 tp -113.17 126.73 55.76 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.235 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -102.25 91.8 4.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.0 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.32 148.19 50.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.33 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.39 -42.58 74.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.69 -67.15 0.82 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.862 -179.781 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.42 131.28 69.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 72.0 p -101.32 166.8 10.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -133.6 148.97 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.554 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.509 HG23 HD13 ' B' ' 216' ' ' ILE . 29.0 m -140.46 136.49 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.324 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.68 149.82 46.59 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.86 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.3 t -88.4 123.83 67.47 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.376 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -73.0 -12.57 26.03 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 C-N-CA 121.917 1.745 . . . . 0.0 112.712 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.93 -49.05 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.734 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' B' ' 209' ' ' VAL . 8.0 p -126.61 -13.78 5.88 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.733 -175.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.04 81.0 0.08 OUTLIER Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.47 HG23 ' SG ' ' B' ' 207' ' ' CYS . 54.5 t -136.26 140.71 43.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.405 ' C ' HG13 ' B' ' 211' ' ' ILE . 4.6 t-20 -67.53 118.35 10.72 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.405 HG13 ' C ' ' B' ' 210' ' ' ASN . 55.4 mt -149.22 141.52 15.17 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.659 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.74 155.83 25.43 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.07 1.846 . . . . 0.0 110.861 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.632 ' O ' HG22 ' B' ' 216' ' ' ILE . 69.8 tt0 -68.29 -16.44 63.96 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.285 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.0 p -86.02 -43.69 12.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -78.93 -7.48 58.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.862 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.632 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.9 tp -63.75 -38.05 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 123.089 0.243 . . . . 0.0 111.136 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.58 -48.7 80.6 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.548 0.53 . . . . 0.0 110.311 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.36 -43.92 84.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.844 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -57.73 -43.81 85.59 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.687 0.617 . . . . 0.0 110.674 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.09 -38.28 88.27 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.29 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.0 73.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 57.8 m -84.77 -44.93 12.87 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.231 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.6 t -60.05 -41.24 91.88 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.015 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.06 -40.55 96.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.529 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 47.7 m -62.53 -34.87 77.76 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.434 0.459 . . . . 0.0 110.74 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.3 -48.26 74.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.056 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -58.94 -40.62 85.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.677 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.83 -21.16 62.48 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.598 0.561 . . . . 0.0 111.21 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.6 -42.34 22.42 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 123.098 0.249 . . . . 0.0 110.867 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.93 -43.72 98.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -56.67 -63.27 1.25 Allowed 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.229 0.33 . . . . 0.0 110.721 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 89.0 p -78.85 171.56 15.01 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.755 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.9 tt -145.74 129.24 16.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -110.58 131.08 55.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 77.4 p -68.59 -37.24 79.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 33.8 t -137.6 150.25 47.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.27 135.69 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.843 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -113.84 151.43 32.13 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.418 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.66 -41.4 99.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.274 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -87.08 122.49 30.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.294 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -125.48 164.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.078 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -120.83 143.04 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.527 0.517 . . . . 0.0 109.68 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.75 134.62 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -125.12 119.82 29.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.673 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.5 p -79.71 165.69 22.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.893 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD11 HG22 ' A' ' 70' ' ' VAL . 71.2 mt -65.12 -22.81 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 p -76.43 -19.56 57.95 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.473 0.483 . . . . 0.0 111.631 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 -9.74 28.41 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.833 -0.426 . . . . 0.0 112.418 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.2 150.19 35.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.126 0.463 . . . . 0.0 109.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -130.41 129.37 42.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.78 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 tt -133.0 133.83 58.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -96.52 121.68 38.6 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 tp -116.89 133.39 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.365 -177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -96.47 116.93 29.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.131 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.34 -174.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.149 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.36 153.32 74.58 Favored Pre-proline 0 CA--C 1.538 0.505 0 O-C-N 123.245 0.34 . . . . 0.0 110.589 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.35 -32.03 79.67 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 C-N-CA 122.224 1.95 . . . . 0.0 111.938 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -72.68 -26.74 61.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.562 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.4 139.19 58.52 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.717 0.294 . . . . 0.0 110.376 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 55' ' ' THR . 75.5 p -84.58 158.19 20.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.509 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.08 -42.52 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.601 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -60.72 -34.55 74.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.766 0.317 . . . . 0.0 110.354 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.18 -39.71 86.45 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.512 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 95.9 t -61.82 -44.38 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.585 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.26 -47.93 74.73 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.274 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.69 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.262 0.351 . . . . 0.0 110.678 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -41.69 99.51 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.456 HG21 ' OE1' ' A' ' 41' ' ' GLN . 91.2 mt -63.71 -42.56 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.558 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -50.47 -41.4 53.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.0 -37.08 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -80.04 -44.68 19.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -98.2 -6.91 30.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.99 22.26 68.53 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.9 mt -109.02 134.11 20.5 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 117.294 0.547 . . . . 0.0 110.801 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -55.97 146.56 68.14 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.796 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.23 -30.19 54.91 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 122.271 1.981 . . . . 0.0 112.404 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.27 -34.66 78.88 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.403 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.98 -6.03 59.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.887 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' OE1' HG21 ' A' ' 30' ' ' ILE . 73.5 mt-30 -109.54 126.35 53.47 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -121.79 118.98 30.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.889 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -96.1 136.62 36.32 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.402 0.439 . . . . 0.0 111.48 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.458 HD11 HD22 ' B' ' 220' ' ' LEU . 94.0 mt -127.88 140.19 49.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.102 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 72.1 t80 -142.07 120.86 12.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 70.15 28.83 3.9 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.78 10.98 83.46 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-O 119.844 -0.42 . . . . 0.0 113.001 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -134.54 148.81 50.57 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.197 0.499 . . . . 0.0 110.474 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -77.39 150.09 35.12 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.2 127.48 36.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.218 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -75.13 125.67 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.743 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.03 -36.57 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.549 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.72 10.69 50.28 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 123.566 0.541 . . . . 0.0 112.845 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -118.29 165.81 13.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 117.086 0.443 . . . . 0.0 110.669 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 22' ' ' THR . 73.9 p -106.76 162.62 13.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.87 -41.63 98.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.005 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -59.11 -33.02 70.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.862 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.59 -15.37 63.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.655 0.597 . . . . 0.0 111.769 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -104.53 12.75 32.81 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 56.72 40.36 29.21 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.074 0.464 . . . . 0.0 110.752 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.76 122.14 44.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -97.47 -177.08 3.69 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.097 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -65.81 142.49 57.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 55.5 75.87 0.3 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -121.04 150.05 41.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.615 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -102.14 112.58 25.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.49 145.01 27.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -97.08 123.52 40.85 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 tp -103.77 134.15 47.56 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.22 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 HD11 ' A' ' 8' ' ' LEU . 42.8 t -124.73 150.08 29.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -114.84 125.13 53.32 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.26 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -98.57 92.1 5.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.107 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -72.13 150.5 43.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -75.86 138.81 41.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.494 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.11 48.32 4.4 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.985 -1.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 51.8 t -98.84 126.09 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 8.0 m -73.33 143.61 46.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.442 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -131.6 146.73 52.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' VAL . . . . . 0.438 HG23 HD13 ' B' ' 216' ' ' ILE . 26.8 m -142.01 137.96 30.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.105 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.04 153.18 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.0 t -87.23 121.18 71.5 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.309 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -68.06 -16.0 44.15 Favored 'Trans proline' 0 N--CA 1.509 2.428 0 C-N-CA 122.489 2.126 . . . . 0.0 112.829 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.12 -52.23 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.24 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.3 p -121.43 -12.45 8.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.677 -175.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 62.04 78.34 0.17 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 209' ' ' VAL . . . . . 0.455 HG23 ' SG ' ' B' ' 207' ' ' CYS . 59.5 t -136.39 139.43 45.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 210' ' ' ASN . . . . . 0.43 ' C ' HG13 ' B' ' 211' ' ' ILE . 6.3 t-20 -68.71 121.36 16.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ILE . . . . . 0.43 HG13 ' C ' ' B' ' 210' ' ' ASN . 68.3 mt -150.97 139.59 13.06 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -54.37 159.32 8.38 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.877 1.718 . . . . 0.0 111.067 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.706 ' O ' HG22 ' B' ' 216' ' ' ILE . 4.8 tp10 -64.24 -34.71 78.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 62.0 p -75.42 -41.73 55.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -72.23 -19.78 61.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.007 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 216' ' ' ILE . . . . . 0.706 HG22 ' O ' ' B' ' 213' ' ' GLU . 6.0 tp -61.62 -31.99 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 123.249 0.343 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.05 -49.15 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.502 0.501 . . . . 0.0 110.107 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.5 -44.35 78.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.145 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -58.76 -39.33 80.66 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.672 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 220' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 44' ' ' ILE . 27.1 mt -60.09 -40.43 89.6 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.187 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.32 -34.92 77.55 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.537 0.523 . . . . 0.0 110.617 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 3.6 t -76.31 -46.95 25.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -43.5 92.67 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.918 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.29 -38.57 91.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.742 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 37.1 m -57.55 -33.38 68.06 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.502 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -56.21 -46.39 79.49 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -66.8 -36.8 83.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.888 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.74 -28.73 67.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 123.572 0.545 . . . . 0.0 111.004 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.49 -47.31 56.27 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.325 0.391 . . . . 0.0 111.025 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.55 -68.45 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.651 0.594 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 41.42 43.7 2.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.902 0.858 . . . . 0.0 110.717 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 21.4 p -168.54 -34.84 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.035 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 65.4 mt -101.03 119.97 39.52 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.637 0.585 . . . . 0.0 109.886 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -142.78 -64.73 0.4 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 78.5 p -73.48 -36.7 65.86 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.36 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 23.3 p -105.28 50.38 0.78 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.059 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.67 -34.65 63.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.952 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -135.89 143.18 44.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.261 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -81.11 132.35 35.35 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.702 0.626 . . . . 0.0 110.582 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.26 179.649 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -79.81 121.97 26.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.565 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.7 pt -124.73 163.79 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.846 . . . . 0.0 108.993 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -121.04 145.91 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.75 136.77 59.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -125.61 120.85 31.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.403 HG22 HD23 ' A' ' 69' ' ' LEU . 71.8 p -80.02 167.97 19.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.072 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD11 HG22 ' A' ' 70' ' ' VAL . 69.3 mt -65.43 -25.25 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.43 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.6 p -74.63 -20.8 59.76 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.74 -14.72 24.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.919 -0.378 . . . . 0.0 112.428 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.5 151.83 15.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.038 0.419 . . . . 0.0 109.877 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -129.18 130.01 45.81 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.795 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -130.65 131.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.798 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.2 m -95.2 123.27 38.61 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 tp -121.9 136.7 54.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.246 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.76 115.2 30.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.019 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.39 153.31 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -98.37 148.0 33.91 Favored Pre-proline 0 CA--C 1.539 0.523 0 O-C-N 123.492 0.495 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -33.12 80.54 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.17 1.913 . . . . 0.0 111.9 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.7 p -70.58 -19.84 62.83 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.569 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.78 136.32 47.05 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -79.77 160.85 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.521 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.6 mm -60.95 -42.9 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.55 -33.95 68.65 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.335 0.397 . . . . 0.0 110.205 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -68.3 -39.16 82.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.545 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.71 -43.78 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.45 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -56.05 -48.66 75.61 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.1 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.87 -38.21 67.21 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.344 0.403 . . . . 0.0 110.621 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.29 -41.13 98.95 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.08 -43.02 97.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.457 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -46.35 -46.02 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.292 0.37 . . . . 0.0 110.804 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.11 -35.3 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.095 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.75 -45.1 12.72 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -96.9 -11.94 24.09 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 21.45 68.73 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -108.44 134.82 20.1 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 117.366 0.583 . . . . 0.0 110.784 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.38 138.86 46.47 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.529 2.153 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.05 -33.85 91.08 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.347 2.031 . . . . 0.0 112.229 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.31 -35.54 80.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.354 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' O ' HD12 ' A' ' 71' ' ' LEU . 35.6 tt0 -82.74 0.62 42.72 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 123.283 0.364 . . . . 0.0 111.87 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -116.34 130.12 56.61 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.935 0.398 . . . . 0.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -126.83 135.3 50.82 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.209 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.3 mt -109.58 139.87 44.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.273 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.9 mt -126.69 138.28 55.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.358 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -135.19 121.63 20.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.944 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 17.6 10.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.773 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 102.53 -19.61 47.25 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 120.079 -0.29 . . . . 0.0 112.971 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.21 149.99 24.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.117 0.458 . . . . 0.0 110.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -75.06 169.33 18.22 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.302 0.376 . . . . 0.0 110.941 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.33 123.89 50.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.184 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -75.43 125.52 29.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.423 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.36 -35.41 62.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.47 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.28 11.41 44.06 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 112.767 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -116.64 162.77 17.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.107 0.453 . . . . 0.0 110.712 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.1 p -107.94 161.95 14.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.027 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.04 -40.34 95.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.983 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.0 p -61.48 -31.46 71.44 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.249 0.343 . . . . 0.0 110.915 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.17 -20.14 64.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.883 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -97.47 9.77 41.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 57.5 48.69 14.03 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.376 0.608 . . . . 0.0 110.671 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -101.59 123.22 54.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -97.66 -176.28 3.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -63.72 139.67 58.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.021 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 55.19 83.65 0.08 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.049 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -128.66 150.1 50.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.381 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.3 m -102.28 115.58 30.86 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.003 0.43 . . . . 0.0 110.869 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 mt -102.55 152.69 20.87 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.275 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -102.07 128.13 48.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.392 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 HG22 ' A' ' 7' ' ' THR . 16.4 tp -110.75 132.97 53.74 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.074 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG22 HD11 ' A' ' 8' ' ' LEU . 60.1 t -127.01 149.52 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 40' ' ' GLN . 13.8 tp -109.84 129.84 55.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.194 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -106.92 89.57 3.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.764 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -47.03 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.515 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -144.41 145.62 32.03 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.43 8.18 72.71 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.939 0 CA-C-O 118.105 -1.386 . . . . 0.0 110.647 -179.677 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.97 126.48 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.526 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 6.0 t -148.63 160.12 43.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.327 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -135.54 150.21 49.67 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.616 0.572 . . . . 0.0 110.428 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.44 HG11 ' OE2' ' B' ' 213' ' ' GLU . 30.9 m -146.3 142.11 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.148 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -75.65 156.2 35.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.792 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.2 124.41 63.23 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.093 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.79 -11.19 25.69 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 121.919 1.746 . . . . 0.0 112.707 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.444 HG13 ' OE1' ' B' ' 227' ' ' GLU . 29.7 t -89.9 -49.26 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.696 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.3 p -125.36 -16.15 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.67 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.98 0.29 Allowed Glycine 0 C--N 1.333 0.388 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.508 HG23 ' SG ' ' B' ' 207' ' ' CYS . 71.7 t -135.55 138.45 48.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.429 ' C ' HG13 ' B' ' 211' ' ' ILE . 12.7 t-20 -69.04 119.31 13.14 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.429 HG13 ' C ' ' B' ' 210' ' ' ASN . 62.5 mt -151.03 140.11 13.48 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.31 161.0 12.21 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.021 1.814 . . . . 0.0 110.991 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.638 ' O ' HG22 ' B' ' 216' ' ' ILE . 41.3 tp10 -69.84 -18.27 63.43 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 39.9 p -85.93 -44.26 12.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.963 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -78.41 -7.59 57.53 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.035 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.638 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.1 tp -65.57 -36.97 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 O-C-N 122.984 0.177 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -58.36 -50.56 73.23 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.446 0.466 . . . . 0.0 110.554 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -42.65 94.72 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -57.87 -42.67 85.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.495 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.02 -37.59 83.1 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.276 0.36 . . . . 0.0 110.099 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.76 -34.91 76.69 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.811 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 52.2 p -83.21 -48.11 10.84 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.306 0.379 . . . . 0.0 111.207 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.93 -40.59 70.07 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.77 -34.71 69.68 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 73.5 m -58.48 -40.34 82.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -60.09 -43.17 95.71 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.411 0.445 . . . . 0.0 110.267 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . 0.444 ' OE1' HG13 ' B' ' 206' ' ' VAL . 93.8 mt-10 -55.67 -37.97 69.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.564 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -76.57 -19.12 58.22 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.12 -44.7 25.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.95 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.56 -39.39 94.28 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.275 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.9 151.5 44.66 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.409 0.443 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 9.5 m -58.4 147.9 29.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.367 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 73.3 mt -95.34 129.16 42.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -131.11 142.16 50.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.664 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 57.0 m -131.41 125.47 32.65 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 13.9 t -62.41 -42.7 99.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . 0.447 HG12 ' H ' ' B' ' 239' ' ' LYS . 52.5 t -114.66 136.7 50.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.804 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -61.86 -40.2 94.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.618 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . 0.447 ' H ' HG12 ' B' ' 237' ' ' VAL . 98.6 mttt -58.97 -43.84 91.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.478 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.692 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -87.97 120.72 29.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.388 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.99 163.28 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.27 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.462 ' CE2' HG23 ' A' ' 14' ' ' THR . 92.9 m-85 -119.97 144.92 47.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 67' ' ' LEU . 48.3 t -127.44 137.48 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.54 120.02 25.93 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.3 p -79.91 166.29 21.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.987 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 70' ' ' VAL . 73.5 mt -60.92 -22.09 64.02 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.465 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.7 p -75.75 -14.5 60.32 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.5 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.13 -14.57 55.36 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.972 -0.349 . . . . 0.0 112.348 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.84 151.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -129.07 128.89 44.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 HD11 ' CD ' ' A' ' 33' ' ' LYS . 13.8 tt -130.44 130.96 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.717 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.462 HG23 ' CE2' ' A' ' 4' ' ' PHE . 19.6 m -94.72 120.77 35.47 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -115.66 138.59 50.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.354 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.4 120.05 39.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.946 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -149.8 -178.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.983 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -131.88 155.55 81.24 Favored Pre-proline 0 CA--C 1.538 0.483 0 O-C-N 123.263 0.352 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.74 -33.0 93.05 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.208 1.939 . . . . 0.0 111.97 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 p -70.52 -26.88 63.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.779 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.3 137.1 56.69 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.531 0.205 . . . . 0.0 110.549 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -83.06 161.31 21.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.398 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.53 -43.54 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.521 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.25 -34.82 64.36 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.167 0.292 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.94 -40.58 71.95 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.659 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.38 -44.98 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -56.94 -50.27 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.322 0.389 . . . . 0.0 110.503 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.29 60.38 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.143 0.277 . . . . 0.0 110.77 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.3 -43.16 99.46 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.973 0.416 . . . . 0.0 109.904 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.222 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -48.95 -36.91 18.52 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.339 0.399 . . . . 0.0 110.578 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.47 -32.61 72.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.882 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' CD ' HD11 ' A' ' 13' ' ' ILE . 98.4 mttt -93.54 -27.88 16.39 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -109.69 -13.43 14.51 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.92 22.28 73.86 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.44 134.59 21.15 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 117.343 0.571 . . . . 0.0 110.774 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.21 148.62 88.94 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.068 1.845 . . . . 0.0 112.628 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.23 -37.07 97.3 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.373 2.049 . . . . 0.0 112.568 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.0 -43.25 91.45 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.462 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.73 -8.98 59.25 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.253 0.346 . . . . 0.0 111.918 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB3' HD11 ' A' ' 69' ' ' LEU . 87.1 mt-30 -110.51 129.48 55.78 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 111.759 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -124.63 129.16 50.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.053 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -105.28 134.41 48.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.448 HD11 HD22 ' B' ' 220' ' ' LEU . 80.0 mt -124.91 137.03 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.156 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 67' ' ' LEU . 70.0 t80 -135.99 126.42 26.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 25.52 13.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.667 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.73 16.85 67.13 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.887 -0.396 . . . . 0.0 112.827 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -138.77 151.83 47.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.143 0.472 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -80.25 153.76 28.3 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.1 mt -100.41 122.28 42.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.165 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.62 125.74 25.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.337 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -56.82 -37.09 70.72 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.567 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.76 16.67 35.19 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 123.577 0.548 . . . . 0.0 112.943 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -119.99 168.21 11.39 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.121 0.46 . . . . 0.0 110.775 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.7 p -105.26 162.21 13.61 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.096 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.33 -41.57 98.67 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.212 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -62.38 -32.96 73.84 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.32 0.388 . . . . 0.0 111.078 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.62 -16.43 60.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.651 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.8 15.62 26.46 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.59 44.95 16.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.25 0.548 . . . . 0.0 110.711 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.9 mt -97.51 124.39 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -102.89 -173.92 2.43 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.251 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.26 141.2 58.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 54.42 84.98 0.06 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.6 m -129.71 151.12 50.65 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.489 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 m -102.94 111.45 23.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.972 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 45' ' ' PHE . 49.4 mt -101.65 132.61 47.25 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -92.1 132.53 36.52 Favored 'General case' 0 CA--C 1.519 -0.233 0 O-C-N 123.577 0.548 . . . . 0.0 110.064 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 41' ' ' GLN . 19.7 tp -110.82 141.4 44.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.385 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG22 HD11 ' A' ' 8' ' ' LEU . 62.0 t -123.35 152.13 28.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 tp -109.34 125.06 51.95 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.213 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -98.56 89.62 4.46 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.91 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -80.87 151.17 28.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.43 136.16 33.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.192 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.88 -67.22 1.27 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.788 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.942 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.0 131.41 35.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.532 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . 0.458 HG21 ' OE1' ' B' ' 213' ' ' GLU . 29.3 m -114.75 138.87 50.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.98 148.36 52.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 21.5 m -146.89 142.24 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.73 152.47 37.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.758 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.8 t -88.23 125.13 64.93 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 119.223 -0.418 . . . . 0.0 109.983 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.28 -12.47 27.63 Favored 'Trans proline' 0 N--CA 1.502 2.021 0 C-N-CA 121.86 1.706 . . . . 0.0 112.676 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.3 t -87.67 -52.39 11.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.828 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.408 ' SG ' HG23 ' B' ' 209' ' ' VAL . 14.0 p -117.94 -11.88 10.2 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.769 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.31 69.77 1.26 Allowed Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.408 HG23 ' SG ' ' B' ' 207' ' ' CYS . 76.0 t -135.65 137.38 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.436 ' C ' HG13 ' B' ' 211' ' ' ILE . 7.4 t-20 -68.81 124.78 24.61 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.436 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.7 mt -152.01 137.42 11.02 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.033 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.33 159.33 13.25 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.882 1.721 . . . . 0.0 110.97 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.458 ' OE1' HG21 ' B' ' 200' ' ' THR . 91.0 mt-10 -60.91 -39.79 90.66 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.273 0.358 . . . . 0.0 111.176 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 20.1 m -67.34 -39.81 85.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.238 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -72.95 -15.69 61.55 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.282 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.73 -43.44 98.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -53.01 -56.36 16.68 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.758 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.32 -41.33 94.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.432 ' CG ' HD13 ' B' ' 211' ' ' ILE . 86.7 t60 -57.3 -41.69 80.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.448 HD22 HD11 ' A' ' 44' ' ' ILE . 28.1 mt -61.43 -37.75 84.65 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.58 -35.88 79.07 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.639 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 88.8 p -82.26 -52.26 7.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.939 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.31 -41.69 63.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.67 -31.28 64.95 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 6.1 t -60.81 -39.93 90.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.727 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.14 -44.33 74.99 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.17 -38.8 58.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.17 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.25 -24.47 63.07 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.457 0.473 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.78 -44.98 25.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.509 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.1 38.38 0.89 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.968 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -77.28 54.95 1.16 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.321 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.05 34.84 1.02 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.367 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 64.3 mt -120.09 132.18 55.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.11 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -96.82 137.92 35.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.0 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 17.7 m -74.32 143.62 44.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 14.2 m -77.15 149.9 35.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 51.1 t -72.09 137.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.85 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.62 142.49 58.38 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -98.37 146.36 25.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.583 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.123 -179.743 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttp . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.212 0.529 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -85.31 121.11 27.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.641 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 pt -124.8 162.28 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.27 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -119.29 141.1 49.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' HB ' HG23 ' A' ' 13' ' ' ILE . 58.8 t -118.84 134.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -122.38 117.16 25.38 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 69' ' ' LEU . 71.6 p -79.62 163.95 24.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.611 HD11 HG22 ' A' ' 70' ' ' VAL . 81.4 mt -63.67 -24.51 67.81 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.532 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -76.65 -16.32 59.58 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.531 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.94 -11.94 34.59 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.473 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.4 150.55 22.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 117.139 0.469 . . . . 0.0 109.913 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -131.18 128.41 39.94 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.688 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HG23 ' HB ' ' A' ' 5' ' ' VAL . 11.6 tt -132.69 129.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.4 m -92.05 122.5 34.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -114.64 133.13 56.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.377 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -96.3 112.8 24.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.669 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.3 m -144.58 176.6 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.763 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -119.66 151.55 52.11 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.265 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.81 -21.14 69.39 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.075 1.85 . . . . 0.0 112.038 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -83.05 -16.75 45.77 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.491 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -71.43 145.43 49.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.515 0.198 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 55' ' ' THR . 69.3 p -80.87 156.13 26.22 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.369 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD12 HD13 ' A' ' 50' ' ' LEU . 38.8 mm -60.06 -43.18 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.4 -35.74 70.42 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.254 0.346 . . . . 0.0 110.22 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.17 85.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.696 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.2 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.416 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -55.85 -47.32 77.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.437 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.62 67.33 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.308 0.38 . . . . 0.0 110.797 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' HG12 ' A' ' 17' ' ' VAL . 98.3 mttt -62.2 -42.54 99.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.37 -43.23 98.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.333 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -47.23 -40.17 15.77 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.757 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.21 -37.95 81.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.301 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.67 -36.85 25.6 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -102.29 -9.95 19.94 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.0 22.84 67.15 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 119.784 -0.454 . . . . 0.0 112.213 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -111.62 136.58 21.07 Favored Pre-proline 0 CA--C 1.552 1.025 0 CA-C-N 117.365 0.582 . . . . 0.0 110.558 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.4 146.59 96.4 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 122.253 1.969 . . . . 0.0 112.607 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.02 -35.78 99.06 Favored 'Trans proline' 0 N--CA 1.504 2.126 0 C-N-CA 122.362 2.041 . . . . 0.0 112.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.03 -36.42 83.49 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.473 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -83.03 -8.58 59.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.388 0.43 . . . . 0.0 111.607 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -111.31 128.5 55.97 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.75 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -125.58 132.06 52.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.452 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -108.99 139.03 44.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.917 0.389 . . . . 0.0 111.495 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.63 HD11 HD22 ' B' ' 220' ' ' LEU . 98.5 mt -127.42 145.16 35.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.242 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 72.4 t80 -148.3 119.0 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.085 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 72.01 25.27 3.07 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.591 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.25 82.18 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.92 -0.378 . . . . 0.0 113.113 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -128.13 147.07 50.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.15 0.475 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -80.11 149.0 30.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.466 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD13 HD12 ' A' ' 23' ' ' ILE . 78.1 mt -85.63 124.76 32.54 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.173 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -76.99 130.15 37.08 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.643 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -37.35 80.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.342 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.88 7.06 57.03 Favored Glycine 0 CA--C 1.536 1.362 0 O-C-N 123.516 0.51 . . . . 0.0 112.663 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -120.1 163.08 18.22 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.299 0.55 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 22' ' ' THR . 71.1 p -104.24 163.86 12.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.74 -41.15 94.79 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.987 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -59.76 -35.17 74.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.298 0.374 . . . . 0.0 110.833 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.27 -17.05 64.19 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.415 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -103.49 12.62 34.91 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 59.33 39.15 22.69 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.163 0.506 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.7 mt -92.89 123.21 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.31 -173.92 2.45 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.01 141.36 57.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.178 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 54.28 99.0 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.084 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 p -147.12 155.42 42.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.675 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.2 m -105.02 113.36 26.91 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.701 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.9 mt -94.4 167.89 11.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -120.69 120.51 35.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.994 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 7' ' ' THR . 16.6 tp -104.41 133.62 48.99 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.285 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.611 HG22 HD11 ' A' ' 8' ' ' LEU . 46.6 t -125.61 148.0 30.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.51 129.38 55.29 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.474 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -100.99 89.35 3.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.68 148.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.12 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -65.89 -43.4 88.35 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.9 -163.73 23.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.852 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.924 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.85 127.98 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 44.9 m -124.69 127.04 46.67 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.168 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -90.3 142.43 27.74 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.564 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.3 m -144.02 139.29 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.2 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -76.13 154.82 35.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.689 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 53.9 t -93.08 123.43 61.04 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.41 -8.75 22.22 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 121.896 1.731 . . . . 0.0 112.705 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.71 -51.08 12.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.182 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.491 ' SG ' HG23 ' B' ' 209' ' ' VAL . 13.6 p -121.7 -17.07 7.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.92 -176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 72.39 71.67 1.04 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.491 HG23 ' SG ' ' B' ' 207' ' ' CYS . 65.0 t -133.01 136.2 55.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -70.35 122.33 19.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . . . . . . . . . 55.7 mt -151.67 140.01 13.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 123.38 0.425 . . . . 0.0 110.744 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.71 164.02 8.23 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 121.914 1.743 . . . . 0.0 110.991 177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.577 ' O ' HG22 ' B' ' 216' ' ' ILE . 92.2 mt-10 -74.77 -10.63 59.7 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.554 0.534 . . . . 0.0 111.697 179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 38.8 t -86.29 -45.61 11.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.725 0.298 . . . . 0.0 110.671 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -83.88 -0.69 52.31 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.869 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.577 HG22 ' O ' ' B' ' 213' ' ' GLU . 7.3 tp -65.11 -37.43 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 O-C-N 122.934 0.146 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -60.09 -47.14 87.11 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.155 0.284 . . . . 0.0 111.087 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.88 -44.61 84.83 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -59.13 -42.78 91.43 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.463 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 44' ' ' ILE . 36.9 mt -61.83 -39.02 90.34 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.27 -33.62 72.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.797 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 95.5 p -84.7 -52.48 6.04 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.199 0.312 . . . . 0.0 111.03 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -43.95 76.45 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.39 -39.8 92.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 41.1 m -57.52 -33.31 67.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.12 -42.43 98.52 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -57.36 -36.56 71.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.97 -18.38 60.88 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.277 0.36 . . . . 0.0 111.724 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -77.48 -39.76 45.41 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.049 0.218 . . . . 0.0 110.796 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.57 -41.97 91.42 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.42 -69.74 0.21 Allowed 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.378 0.424 . . . . 0.0 110.24 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 49.0 m -156.13 160.05 39.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.657 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.51 121.63 29.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.193 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -93.83 146.84 23.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.951 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 24.6 m -73.57 175.57 6.95 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.067 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 2.6 t 56.35 86.07 0.07 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.095 0.474 . . . . 0.0 110.126 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.81 135.51 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.563 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -58.08 -45.56 86.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.497 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -109.55 138.42 45.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.508 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.786 -179.851 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -83.21 123.3 29.43 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.927 0.767 . . . . 0.0 109.567 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -125.65 158.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.167 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -113.27 141.19 47.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.463 ' HB ' HG23 ' A' ' 13' ' ' ILE . 59.4 t -120.71 134.05 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -124.37 119.87 30.49 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.77 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.8 p -81.03 163.45 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.062 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD13 HG21 ' B' ' 202' ' ' VAL . 77.4 mt -64.68 -22.38 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -74.69 -19.48 60.24 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.81 -14.97 29.14 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-O 119.87 -0.406 . . . . 0.0 112.463 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.89 151.24 30.64 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -128.02 129.35 46.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.669 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 HG23 ' HB ' ' A' ' 5' ' ' VAL . 14.3 tt -130.83 126.41 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.747 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -90.08 125.22 35.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -122.73 135.33 54.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.114 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -100.97 113.29 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.993 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 ' NZ ' ' A' ' 29' ' ' LYS . 34.3 m -144.8 144.96 21.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.182 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -87.61 150.07 47.71 Favored Pre-proline 0 C--O 1.237 0.425 0 O-C-N 123.463 0.477 . . . . 0.0 110.455 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.95 -25.94 82.3 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 122.364 2.043 . . . . 0.0 111.954 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 -19.22 62.13 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.478 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.93 143.5 52.68 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.122 0.264 . . . . 0.0 110.476 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 p -82.85 156.43 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.37 -43.51 90.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.03 -33.58 70.92 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.314 0.384 . . . . 0.0 110.186 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.16 -40.24 82.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.67 -45.04 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.353 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.36 -49.18 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.357 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.95 64.2 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.355 0.41 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 99.4 mttt -62.82 -39.82 95.5 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.124 0.487 . . . . 0.0 109.985 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.7 mm -61.79 -40.77 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.95 -35.28 76.33 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 123.629 0.58 . . . . 0.0 110.649 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.84 -38.25 90.03 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.12 -24.22 15.4 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.28 -16.67 18.41 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.61 20.81 66.37 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.7 133.49 22.23 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 117.405 0.603 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.12 142.05 36.47 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.147 1.898 . . . . 0.0 112.803 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.96 -35.44 94.35 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.451 2.101 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.61 -34.52 77.18 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.342 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -82.94 -11.21 58.35 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.294 0.371 . . . . 0.0 111.846 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -114.36 129.26 56.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.991 0.424 . . . . 0.0 111.493 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -127.29 134.98 49.96 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.385 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -106.31 144.22 33.31 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.247 0.342 . . . . 0.0 111.141 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.542 HD11 HD22 ' B' ' 220' ' ' LEU . 98.7 mt -132.13 144.43 37.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.326 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -134.83 137.55 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.084 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 20.47 0.35 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.035 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 100.58 -21.68 42.99 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 119.897 -0.391 . . . . 0.0 112.887 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.95 149.22 23.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.26 0.53 . . . . 0.0 110.659 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -79.36 153.07 30.04 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -92.46 120.53 33.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.043 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -72.78 131.66 42.6 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.82 -39.8 90.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.481 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.58 7.85 51.7 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 123.411 0.445 . . . . 0.0 112.913 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -116.91 165.43 13.34 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 117.157 0.478 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -108.59 160.17 16.14 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.39 -40.59 94.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.046 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -59.08 -32.32 69.68 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.276 0.36 . . . . 0.0 110.831 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -70.88 -17.13 62.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.792 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -100.29 13.35 34.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 57.65 47.01 16.54 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.319 0.581 . . . . 0.0 110.614 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.71 121.78 53.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -101.91 -173.21 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.84 139.19 58.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 56.66 89.16 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.73 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -133.11 145.45 50.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.559 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -98.07 117.01 31.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -106.2 156.18 18.72 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.148 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -112.67 132.72 55.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.138 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.0 tp -106.09 139.7 40.2 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.224 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 220' ' ' LEU . 46.0 t -126.76 148.1 31.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -108.73 129.52 55.36 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.344 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -101.22 89.88 3.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.2 mt -72.27 148.3 45.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -77.51 141.69 39.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.363 0.414 . . . . 0.0 109.977 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.35 48.68 3.45 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.7 0 CA-C-O 118.025 -1.431 . . . . 0.0 110.942 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 47.8 t -113.13 129.2 69.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 13.1 p -80.6 158.36 25.73 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.348 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.0 152.9 49.34 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 8' ' ' LEU . 18.9 m -152.95 148.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.134 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.33 155.66 31.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.83 123.17 65.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.83 -12.54 32.97 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 121.873 1.715 . . . . 0.0 112.672 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 47' ' ' GLY . 16.0 t -88.91 -51.98 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.069 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' B' ' 209' ' ' VAL . 13.2 p -120.76 -15.6 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.567 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.94 72.1 0.8 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' B' ' 207' ' ' CYS . 79.0 t -133.69 135.86 54.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.42 ' C ' HG13 ' B' ' 211' ' ' ILE . 16.3 t-20 -67.85 123.12 19.68 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.42 HG13 ' C ' ' B' ' 210' ' ' ASN . 65.7 mt -151.47 138.81 12.28 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.943 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.74 156.72 14.21 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.913 1.742 . . . . 0.0 110.692 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -59.6 -40.52 87.76 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.45 0.469 . . . . 0.0 110.986 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -69.18 -39.24 78.82 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.451 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -71.77 -14.56 62.03 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.009 -0.542 . . . . 0.0 112.227 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.3 mm -64.58 -43.03 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 119.731 -0.176 . . . . 0.0 110.625 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -54.71 -49.81 69.83 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.417 0.448 . . . . 0.0 110.41 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -68.09 -44.43 76.25 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.773 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -56.38 -36.08 68.45 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.85 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 44' ' ' ILE . 32.1 mt -60.39 -39.07 86.0 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.251 0.345 . . . . 0.0 110.105 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.14 -35.08 79.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 50.0 m -77.18 -45.8 25.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . 0.43 ' SG ' ' HB ' ' B' ' 206' ' ' VAL . 0.6 OUTLIER -65.23 -42.86 93.0 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.962 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.43 -38.26 89.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 57.4 m -57.98 -34.55 70.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.701 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -59.78 -44.33 93.94 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -58.03 -48.21 80.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.626 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.35 -23.57 62.83 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.19 -32.05 73.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.46 -45.9 90.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.188 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.42 -33.83 67.41 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.22 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 10.2 t -84.48 124.28 31.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.722 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 16.2 tp -139.72 128.37 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.167 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -106.98 133.93 50.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 87.9 p -78.03 166.95 22.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.0 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 43.0 t -134.23 146.46 50.12 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.62 -45.05 99.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.538 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -58.9 -44.16 91.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.286 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.51 149.45 33.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.191 179.826 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.89 122.34 29.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.019 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 pt -124.95 161.36 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -116.94 142.93 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 13' ' ' ILE . 56.1 t -122.49 135.47 62.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -122.17 119.49 31.42 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.773 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.54 HG22 HD23 ' A' ' 69' ' ' LEU . 75.0 p -79.32 161.1 26.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.799 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 70' ' ' VAL . 75.4 mt -64.28 -23.84 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.398 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.9 p -75.22 -19.13 59.93 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.367 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.39 25.69 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.858 -0.412 . . . . 0.0 112.334 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -63.05 151.5 39.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 117.158 0.479 . . . . 0.0 109.895 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -129.85 129.96 44.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.674 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.7 tt -130.93 132.35 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.819 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m -94.85 123.9 38.58 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -117.09 132.92 56.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.485 -177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -96.62 116.79 29.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.119 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.01 -179.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.215 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -125.01 147.88 58.29 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 123.342 0.401 . . . . 0.0 110.386 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.6 -24.55 78.66 Favored 'Trans proline' 0 N--CA 1.503 2.04 0 C-N-CA 122.342 2.028 . . . . 0.0 112.04 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -82.01 -13.3 57.59 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.453 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.11 144.74 42.73 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.155 0.285 . . . . 0.0 110.526 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p -82.23 157.49 23.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.5 mm -60.83 -43.15 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.515 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -57.79 -30.0 65.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.334 0.396 . . . . 0.0 110.186 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -72.21 -39.65 68.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.43 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.643 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.43 -48.01 77.89 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.328 0.393 . . . . 0.0 110.343 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.02 -40.14 63.65 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.262 0.351 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.06 -41.91 99.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.015 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.59 -42.87 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.524 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -49.98 -41.41 46.84 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.333 0.395 . . . . 0.0 110.62 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.61 -35.47 79.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -80.74 -45.62 16.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -98.97 -6.1 29.33 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.84 24.2 71.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -110.8 131.28 22.19 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 117.323 0.561 . . . . 0.0 110.91 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.64 146.83 82.95 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.15 1.9 . . . . 0.0 112.779 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -55.17 -39.19 92.27 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.493 2.128 . . . . 0.0 112.206 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.69 -36.13 81.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.571 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.5 -8.63 58.75 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -117.35 128.24 54.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.987 0.422 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -122.92 123.26 40.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.995 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -100.07 134.76 42.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.237 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.613 HD11 HD22 ' B' ' 220' ' ' LEU . 97.3 mt -123.27 141.66 42.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.188 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -135.62 120.26 18.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.153 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.34 18.82 11.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.918 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 102.98 -19.32 47.0 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.916 -0.38 . . . . 0.0 113.009 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -104.48 148.18 26.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 117.323 0.562 . . . . 0.0 110.55 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -79.22 147.57 32.55 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.801 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -83.55 124.41 30.73 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.285 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -75.46 128.82 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.456 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -59.52 -37.14 77.55 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.7 8.25 56.0 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 123.335 0.397 . . . . 0.0 112.851 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -115.17 165.29 13.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.061 0.431 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -108.8 160.47 15.95 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.808 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.45 -40.41 86.76 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.061 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.4 -36.69 78.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.739 0.304 . . . . 0.0 110.837 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.11 -17.53 64.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.937 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -100.84 13.51 34.77 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 58.32 43.03 20.66 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.179 0.514 . . . . 0.0 110.645 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -99.8 127.78 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -110.16 -170.42 1.64 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -61.69 133.39 55.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 56.51 93.91 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.677 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.7 m -133.35 146.7 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.677 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.9 m -98.04 114.98 27.3 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.64 146.55 28.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.94 127.59 41.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.139 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.54 HD23 HG22 ' A' ' 7' ' ' THR . 16.9 tp -107.49 133.28 52.21 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.098 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 8' ' ' LEU . 35.0 t -126.57 147.77 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -107.8 131.79 54.1 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -107.44 87.74 2.57 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.55 155.07 40.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.211 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -66.39 -44.07 84.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.713 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.82 -177.14 47.6 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 118.074 -1.403 . . . . 0.0 110.817 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 48.7 t -115.45 132.37 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.532 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 75.4 p -86.56 166.05 15.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -137.56 150.41 47.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.364 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.473 HG23 HD13 ' B' ' 216' ' ' ILE . 28.4 m -140.06 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.48 152.79 41.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.35 119.14 68.75 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.258 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -67.76 -13.07 37.57 Favored 'Trans proline' 0 N--CA 1.507 2.286 0 C-N-CA 122.156 1.904 . . . . 0.0 112.649 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 47' ' ' GLY . 18.5 t -87.76 -52.45 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.81 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.0 p -121.65 -15.72 7.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.777 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 63.06 77.96 0.2 Allowed Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.466 HG23 ' SG ' ' B' ' 207' ' ' CYS . 61.2 t -135.04 140.48 45.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.402 ' C ' HG13 ' B' ' 211' ' ' ILE . 4.3 t-20 -68.43 117.69 10.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' B' ' 219' ' ' HIS . 62.8 mt -146.22 140.81 15.79 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.859 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -55.78 156.53 18.69 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.947 1.765 . . . . 0.0 110.889 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.617 ' O ' HG22 ' B' ' 216' ' ' ILE . 75.1 tt0 -66.19 -18.83 65.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -87.76 -43.76 11.64 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.62 0.248 . . . . 0.0 111.011 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -74.4 -9.87 59.01 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.617 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.3 tp -64.73 -37.35 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 O-C-N 123.054 0.221 . . . . 0.0 111.368 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.12 -46.82 88.35 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.414 0.447 . . . . 0.0 110.417 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.33 -44.59 71.36 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.611 0.569 . . . . 0.0 110.303 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.439 ' CG ' HD13 ' B' ' 211' ' ' ILE . 80.5 t60 -56.56 -40.67 75.58 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.742 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.613 HD22 HD11 ' A' ' 44' ' ' ILE . 30.0 mt -58.82 -39.33 80.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.485 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 14.0 t -76.76 -45.72 28.0 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.374 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -42.05 99.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.792 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.69 -40.85 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.686 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 25.6 m -60.7 -36.34 78.57 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.446 0.467 . . . . 0.0 110.95 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -59.45 -45.08 92.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -48.78 -47.48 41.86 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.592 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -79.85 -20.56 45.69 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.84 -39.13 80.1 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -66.69 -67.03 0.48 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 45.88 44.13 10.8 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.517 0.675 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 88.2 p -60.52 91.71 0.02 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.18 38.03 4.08 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.456 0.646 . . . . 0.0 109.939 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -115.4 4.3 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.489 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 25.5 p -154.32 162.42 41.18 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 15.5 p -80.21 165.91 21.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.285 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 34.2 m -82.72 130.22 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.288 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -125.24 143.64 50.85 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.409 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.92 -42.72 99.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.367 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttp . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -89.87 118.8 29.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.995 0.809 . . . . 0.0 109.129 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.72 161.56 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.095 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -117.93 142.44 47.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' HB ' HG23 ' A' ' 13' ' ' ILE . 51.4 t -123.17 135.15 64.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -125.51 119.82 29.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.738 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.459 HG22 HD23 ' A' ' 69' ' ' LEU . 81.5 p -79.29 164.02 24.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.878 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.23 -22.08 66.83 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.439 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.7 p -75.67 -18.67 59.56 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.439 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.29 -9.42 31.01 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.359 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.38 151.42 44.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 117.126 0.463 . . . . 0.0 109.818 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -129.72 129.27 43.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.653 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 5' ' ' VAL . 13.4 tt -131.72 131.55 62.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.4 m -94.65 124.87 38.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -119.55 135.27 54.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -99.81 116.97 33.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.317 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -146.11 -173.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 123.572 0.545 . . . . 0.0 110.151 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -127.08 146.31 57.3 Favored Pre-proline 0 CA--C 1.536 0.41 0 O-C-N 123.233 0.333 . . . . 0.0 110.606 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.57 -22.74 73.42 Favored 'Trans proline' 0 N--CA 1.504 2.093 0 C-N-CA 122.258 1.972 . . . . 0.0 111.951 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -80.19 -17.31 52.72 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.368 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.0 148.67 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.768 0.318 . . . . 0.0 110.186 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.4 p -84.64 158.36 20.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.06 -42.97 95.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -58.43 -33.05 69.27 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.361 0.413 . . . . 0.0 110.606 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -69.37 -40.48 77.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.636 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.98 -44.7 99.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.69 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.04 -48.07 76.7 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.33 0.394 . . . . 0.0 110.318 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -40.91 62.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.66 -42.36 99.57 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.371 0.419 . . . . 0.0 109.897 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.07 -43.55 99.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.431 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -48.08 -40.28 22.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.566 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.17 -35.24 77.73 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.167 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.56 -41.47 17.87 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -99.76 -9.14 23.36 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.93 21.96 68.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.3 135.24 19.97 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 117.236 0.518 . . . . 0.0 110.884 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.5 140.58 93.7 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.112 1.875 . . . . 0.0 112.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.25 -35.78 96.05 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.417 2.078 . . . . 0.0 112.049 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.44 -36.94 84.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.505 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.71 -9.93 59.51 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -111.02 129.33 55.94 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 111.379 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -126.04 131.51 52.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.925 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 69' ' ' LEU . 40.2 mt -107.66 134.69 50.28 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.307 0.38 . . . . 0.0 111.409 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.553 HD11 HD22 ' B' ' 220' ' ' LEU . 71.2 mt -124.41 137.2 58.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.135 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' HD1' HD23 ' A' ' 67' ' ' LEU . 76.5 t80 -126.21 131.32 51.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.875 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 24.0 2.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.588 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.87 17.44 61.5 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 119.949 -0.362 . . . . 0.0 112.724 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 44' ' ' ILE . 51.1 mtmt -122.23 145.04 48.59 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 117.364 0.582 . . . . 0.0 110.378 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -77.16 128.01 33.65 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.949 0.404 . . . . 0.0 110.584 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.2 mt -84.89 102.77 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -63.81 131.83 49.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.499 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.43 -38.76 74.91 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.394 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.96 8.05 47.09 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 123.521 0.513 . . . . 0.0 112.737 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -113.63 162.31 16.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.063 0.431 . . . . 0.0 110.694 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -105.78 160.57 15.12 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.206 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -40.38 91.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.077 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.2 m -60.07 -36.52 77.53 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.207 0.317 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.24 -24.69 67.76 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.614 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -96.14 10.7 36.83 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 59.06 55.51 4.39 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.683 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.45 126.61 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -103.81 -174.98 2.67 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.43 142.04 57.72 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 52.06 82.94 0.06 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -129.85 152.17 49.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.593 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.5 m -99.39 113.61 26.05 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.406 0.441 . . . . 0.0 110.908 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD23 ' HD1' ' A' ' 45' ' ' PHE . 58.1 mt -100.09 141.68 32.59 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.145 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -93.28 125.79 38.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 7' ' ' THR . 17.9 tp -105.53 134.11 49.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.983 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.1 t -126.05 150.19 31.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 tp -110.23 125.25 52.89 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.163 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -94.85 91.55 6.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.6 tp -116.35 139.64 50.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.024 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -113.56 151.76 31.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.421 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.29 24.87 64.89 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.695 0 CA-C-O 118.067 -1.407 . . . . 0.0 110.759 -179.555 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.61 160.45 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.826 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 16.7 m -61.53 136.89 58.18 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.243 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -138.52 153.54 48.75 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.395 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 216' ' ' ILE . 28.6 m -140.88 137.21 34.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.98 150.13 42.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.856 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 47.1 t -88.64 123.19 68.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -71.21 -13.14 30.84 Favored 'Trans proline' 0 N--CA 1.507 2.268 0 C-N-CA 122.003 1.802 . . . . 0.0 112.602 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 33.1 t -87.04 -53.22 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.762 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.438 ' SG ' HG23 ' B' ' 209' ' ' VAL . 13.0 p -119.32 -12.1 9.45 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.759 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.86 74.9 0.32 Allowed Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.438 HG23 ' SG ' ' B' ' 207' ' ' CYS . 79.8 t -134.84 138.67 48.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.48 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.3 m120 -68.9 122.26 18.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.48 HG13 ' C ' ' B' ' 210' ' ' ASN . 60.3 mt -149.11 141.17 14.89 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -55.83 156.3 19.67 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.92 1.747 . . . . 0.0 110.897 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.598 ' O ' HG22 ' B' ' 216' ' ' ILE . 71.7 tt0 -65.92 -16.9 64.28 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 70.8 m -87.08 -44.67 11.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 123.247 0.342 . . . . 0.0 111.047 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -73.9 -6.82 49.54 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.598 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.9 tp -65.04 -37.69 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 123.118 0.261 . . . . 0.0 111.349 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.89 -50.43 70.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.93 -43.47 87.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.039 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.465 ' CG ' HD13 ' B' ' 211' ' ' ILE . 81.9 t60 -57.74 -36.39 72.01 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.784 0.678 . . . . 0.0 110.488 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 44' ' ' ILE . 28.7 mt -60.12 -38.94 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.173 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.73 -36.59 84.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 77.9 p -76.05 -41.01 52.02 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.89 -45.68 77.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.62 -39.61 91.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.713 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 40.5 m -55.75 -40.37 72.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -55.87 -45.34 78.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.243 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -61.43 -41.01 96.51 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.559 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.84 -25.6 62.9 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 123.557 0.536 . . . . 0.0 111.193 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -76.0 -41.08 52.2 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 123.162 0.289 . . . . 0.0 110.959 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.26 -40.73 95.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.367 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -105.64 160.47 15.17 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 94.1 p -73.59 162.88 28.74 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.636 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 19.3 tp -149.34 136.54 19.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.87 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -138.31 130.47 28.64 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.568 0.543 . . . . 0.0 110.446 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 27.7 p -158.84 168.24 27.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.249 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 89.8 p -148.74 163.51 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.566 0.541 . . . . 0.0 110.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.2 134.9 65.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.268 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -101.67 123.04 45.0 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.283 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 49.75 31.61 4.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.956 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.46 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ttp . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.03 122.55 29.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.294 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -127.31 157.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.176 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 14' ' ' THR . 77.0 m-85 -111.44 145.69 38.53 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.553 0.533 . . . . 0.0 109.65 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 13' ' ' ILE . 60.4 t -124.33 134.93 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -122.6 119.73 31.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.868 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.622 HG22 HD23 ' A' ' 69' ' ' LEU . 81.7 p -80.34 162.96 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.933 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 70' ' ' VAL . 75.8 mt -64.99 -24.82 67.62 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.454 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.9 p -74.91 -15.13 60.71 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 123.453 0.47 . . . . 0.0 111.404 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.17 -9.25 39.1 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 119.857 -0.413 . . . . 0.0 112.422 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.8 152.56 39.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 117.216 0.508 . . . . 0.0 109.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -131.58 131.16 43.08 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.701 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' HB ' ' A' ' 5' ' ' VAL . 13.4 tt -133.28 136.72 54.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.857 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 4' ' ' PHE . 28.1 m -98.01 123.9 42.24 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 135.07 54.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.491 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -98.58 114.51 26.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.89 174.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.267 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -126.09 150.46 69.54 Favored Pre-proline 0 CA--C 1.538 0.486 0 O-C-N 123.306 0.379 . . . . 0.0 110.618 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.34 -34.73 81.63 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.232 1.955 . . . . 0.0 111.992 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -71.24 -22.7 61.95 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.48 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.93 140.18 53.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.292 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 55' ' ' THR . 68.8 p -85.83 161.53 19.07 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.523 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mm -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -54.45 -37.07 64.76 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.231 0.332 . . . . 0.0 110.391 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -68.78 -41.11 79.23 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.465 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.91 -47.12 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.544 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -56.39 -46.96 79.86 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.408 0.442 . . . . 0.0 110.247 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.97 -40.01 66.5 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.422 0.451 . . . . 0.0 110.731 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -42.07 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.947 0.403 . . . . 0.0 110.037 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.41 -42.27 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.541 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -51.03 -42.34 60.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.484 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.76 -36.15 82.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -82.34 -44.91 15.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.73 -8.18 29.18 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.61 23.21 68.62 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -108.26 134.58 20.14 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 117.353 0.577 . . . . 0.0 110.917 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.99 143.46 99.76 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.157 1.905 . . . . 0.0 112.694 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -54.75 -40.23 85.7 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.396 2.064 . . . . 0.0 112.302 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.92 -31.03 72.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.534 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -80.01 -5.86 56.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -124.71 131.85 53.43 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.85 0.357 . . . . 0.0 111.426 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -124.15 126.04 45.48 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.096 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.3 mt -96.01 141.36 29.51 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.323 0.389 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 HD22 ' B' ' 220' ' ' LEU . 89.0 mt -131.1 142.11 44.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.174 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -133.84 135.25 43.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.218 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.19 21.38 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.499 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 99.83 -22.75 38.91 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.932 -0.371 . . . . 0.0 112.759 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -97.54 151.68 19.79 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.238 0.519 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' HB2' HD13 ' B' ' 224' ' ' LEU . 49.7 tt0 -79.44 149.22 31.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.5 mt -92.84 117.67 30.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.048 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -65.42 127.78 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -57.93 -36.71 72.89 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.545 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 10.65 55.05 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 123.451 0.469 . . . . 0.0 112.965 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mtm-85 -113.05 161.55 16.94 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 117.135 0.467 . . . . 0.0 110.669 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 22' ' ' THR . 68.0 p -102.91 159.14 15.76 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.176 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.01 -41.39 98.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -61.24 -32.77 72.56 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.236 0.335 . . . . 0.0 110.648 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.77 -12.13 61.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.073 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -103.73 9.5 37.09 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.68 39.17 27.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.154 0.502 . . . . 0.0 110.679 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -92.27 118.96 38.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -91.26 -178.57 5.18 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.035 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -68.83 145.01 54.1 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.01 82.69 0.1 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -135.19 150.87 50.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.645 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -103.38 119.42 38.84 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.377 0.423 . . . . 0.0 110.548 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.5 mt -101.54 154.13 19.12 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -101.13 125.38 47.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.072 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD23 HG22 ' A' ' 7' ' ' THR . 16.5 tp -108.26 134.56 50.93 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.13 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 HD11 ' A' ' 8' ' ' LEU . 48.5 t -123.03 146.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 tp -108.38 132.6 53.58 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -104.48 86.48 2.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.5 2.21 38.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -140.69 135.43 31.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 123.306 0.378 . . . . 0.0 110.038 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.97 173.05 44.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.829 0 CA-C-O 118.0 -1.444 . . . . 0.0 110.768 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.98 176.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.104 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . 0.45 HG22 ' N ' ' B' ' 201' ' ' LYS . 9.3 m -60.73 163.34 5.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.231 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . 0.45 ' N ' HG22 ' B' ' 200' ' ' THR . 97.6 mttt -139.35 155.88 47.38 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.638 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 28.1 m -153.85 149.95 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -75.53 155.03 36.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.818 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.3 t -92.47 123.77 61.13 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.157 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.46 -11.82 28.79 Favored 'Trans proline' 0 N--CA 1.505 2.177 0 C-N-CA 121.904 1.736 . . . . 0.0 112.828 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 47' ' ' GLY . 41.3 t -90.46 -50.91 12.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.62 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.9 p -121.46 -18.02 7.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.5 -175.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 65.34 73.38 0.6 Allowed Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.422 HG23 ' SG ' ' B' ' 207' ' ' CYS . 74.8 t -135.02 140.4 45.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.407 ' C ' HG13 ' B' ' 211' ' ' ILE . 9.3 t-20 -68.02 118.18 10.86 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.49 HD13 ' CG ' ' B' ' 219' ' ' HIS . 72.6 mt -147.8 141.06 15.25 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.88 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.17 155.19 30.26 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.0 1.8 . . . . 0.0 110.675 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.23 -37.27 79.83 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.409 0.443 . . . . 0.0 110.892 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 67.5 m -69.46 -40.04 77.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -73.31 -12.23 60.77 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.23 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.0 mm -64.02 -42.21 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 119.725 -0.178 . . . . 0.0 110.537 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.11 -60.8 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.275 0.359 . . . . 0.0 110.219 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.86 -42.53 99.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.866 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.49 ' CG ' HD13 ' B' ' 211' ' ' ILE . 82.3 t60 -57.02 -42.04 79.65 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 44' ' ' ILE . 32.2 mt -64.37 -36.33 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.238 0.336 . . . . 0.0 110.37 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.28 -34.26 77.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.883 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 24.1 p -88.69 -36.56 16.13 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.548 0.53 . . . . 0.0 111.202 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.3 -45.07 74.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.88 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 49' ' ' GLN . 69.5 mt -63.75 -43.5 96.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.81 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 24.4 m -69.54 -41.06 76.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -64.09 -59.33 4.58 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.673 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -35.9 -54.63 0.75 Allowed 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.048 0.843 . . . . 0.0 111.074 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -63.27 -48.71 77.0 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.784 0.678 . . . . 0.0 110.904 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.02 -29.16 67.05 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.463 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.99 -50.43 73.41 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.428 0.455 . . . . 0.0 110.932 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.94 90.71 0.63 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.814 0.34 . . . . 0.0 110.469 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 39.8 t -154.93 149.01 25.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.663 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.93 -42.68 94.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.252 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -121.2 122.75 40.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 47.6 t -75.57 151.56 37.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.094 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 19.3 m -67.57 147.6 52.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.7 130.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -138.3 150.75 46.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.242 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.77 -39.71 94.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.473 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.565 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ttp . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -81.23 122.3 27.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.673 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 HG22 ' A' ' 17' ' ' VAL . 37.2 pt -130.88 139.39 51.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.9 146.22 25.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 67' ' ' LEU . 75.0 t -121.4 138.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -126.23 120.93 31.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.002 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.458 HG22 HD23 ' A' ' 69' ' ' LEU . 80.3 p -80.48 164.56 22.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.094 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.517 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.9 p -76.79 -16.87 59.34 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.665 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.42 -15.25 27.47 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 119.873 -0.404 . . . . 0.0 112.272 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.95 150.56 24.09 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.3 m -131.92 131.09 42.38 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.66 139.01 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.49 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 m -100.06 120.68 40.21 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 140.28 51.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -109.72 114.97 29.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.565 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG22 HG12 ' A' ' 3' ' ' ILE . 35.4 m -138.46 172.26 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.589 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -117.64 150.97 47.8 Favored Pre-proline 0 CA--C 1.54 0.586 0 O-C-N 123.413 0.446 . . . . 0.0 110.65 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.44 -30.87 83.68 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.187 1.925 . . . . 0.0 111.998 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 m -73.98 -18.01 60.92 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.616 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.52 142.59 48.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.552 0.215 . . . . 0.0 110.47 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.6 p -83.38 158.55 22.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.382 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 HD13 ' A' ' 50' ' ' LEU . 38.0 mm -61.09 -42.66 94.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.79 -32.11 70.31 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 123.36 0.412 . . . . 0.0 110.434 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -70.01 -39.09 76.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.47 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.5 t -61.79 -45.49 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.441 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.59 -47.77 75.94 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.25 0.344 . . . . 0.0 110.443 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.02 64.78 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.178 0.299 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.28 -42.18 99.07 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.06 -42.7 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.484 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -50.36 -40.26 48.87 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.31 0.381 . . . . 0.0 110.728 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.29 -35.84 80.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.314 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -85.03 -40.61 16.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -98.4 -8.72 26.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.87 22.54 68.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.0 mt -111.06 133.26 21.35 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 117.329 0.565 . . . . 0.0 110.755 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.62 146.43 91.63 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.135 1.89 . . . . 0.0 112.675 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.71 -38.45 91.42 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.186 1.924 . . . . 0.0 112.541 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -63.21 -37.72 88.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.472 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -76.12 -7.91 55.82 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -118.37 128.47 54.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 111.18 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.09 119.94 32.83 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.111 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 HD13 ' A' ' 69' ' ' LEU . 33.0 mt -96.94 134.64 40.03 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.375 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.618 HD11 HD22 ' B' ' 220' ' ' LEU . 88.6 mt -125.63 140.78 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.27 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD2' HD23 ' A' ' 67' ' ' LEU . 66.8 t80 -140.79 118.21 11.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.012 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 73.8 22.76 2.43 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.791 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.3 11.29 78.49 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.986 -0.341 . . . . 0.0 112.939 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -127.91 147.83 50.48 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.261 0.53 . . . . 0.0 110.12 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.81 135.21 37.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 HD12 ' A' ' 23' ' ' ILE . 76.8 mt -73.63 137.1 43.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.381 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -87.51 122.65 31.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.701 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.37 -35.73 74.46 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.79 10.18 47.7 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.444 0.465 . . . . 0.0 112.634 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.5 178.1 4.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.335 0.568 . . . . 0.0 110.559 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -121.93 162.64 20.69 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.67 -40.14 86.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.957 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t -60.15 -39.73 87.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.576 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -62.43 -18.3 61.39 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.602 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -97.83 8.73 44.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 57.38 43.59 22.98 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.267 0.555 . . . . 0.0 110.616 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.8 mt -96.97 120.57 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -86.97 177.96 7.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.196 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.72 145.3 56.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.978 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 51.78 89.5 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 p -137.5 154.74 49.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.385 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -103.03 119.89 39.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 45' ' ' PHE . 54.5 mt -102.08 159.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.84 124.9 50.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.118 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD23 HG22 ' A' ' 7' ' ' THR . 15.9 tp -106.84 133.09 52.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG11 HD11 ' B' ' 220' ' ' LEU . 44.6 t -115.67 145.18 21.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 tp -107.08 130.09 54.73 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -96.05 12.46 30.48 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.29 138.0 51.34 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.956 0.408 . . . . 0.0 110.062 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -87.1 142.12 28.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.173 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.82 -75.72 0.23 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.839 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 25.0 m -111.84 131.2 63.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . 0.44 HG21 ' OE2' ' B' ' 213' ' ' GLU . 61.6 m -109.86 121.36 45.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.291 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.43 151.77 19.53 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.598 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 21.4 m -152.15 147.5 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.917 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -74.92 151.27 38.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.872 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.83 123.51 63.01 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -67.8 -13.22 37.93 Favored 'Trans proline' 0 N--CA 1.504 2.107 0 C-N-CA 122.192 1.928 . . . . 0.0 112.69 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 34.4 t -91.67 -50.65 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.828 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' B' ' 209' ' ' VAL . 12.3 p -121.39 -18.22 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.678 -175.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 67.51 73.22 0.69 Allowed Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.457 HG23 ' SG ' ' B' ' 207' ' ' CYS . 69.0 t -133.34 138.14 51.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -68.14 119.98 13.61 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.42 HD13 ' CG ' ' B' ' 219' ' ' HIS . 48.6 mt -149.13 140.54 14.34 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.167 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 157.15 25.65 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.803 1.668 . . . . 0.0 110.664 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.44 ' OE2' HG21 ' B' ' 200' ' ' THR . 92.6 mt-10 -60.58 -36.66 79.05 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.308 0.38 . . . . 0.0 111.372 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.1 p -69.51 -38.96 77.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.376 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -74.62 -13.29 60.62 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.05 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.6 mm -64.99 -41.83 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -56.69 -48.35 77.84 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.513 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.27 -43.49 67.08 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.61 0.569 . . . . 0.0 109.917 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.42 ' CG ' HD13 ' B' ' 211' ' ' ILE . 85.0 t60 -57.0 -39.36 74.55 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.807 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.618 HD22 HD11 ' A' ' 44' ' ' ILE . 35.7 mt -61.68 -37.29 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.335 0.397 . . . . 0.0 110.24 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.57 -35.47 80.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.566 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 32.7 t -79.84 -46.68 16.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.57 -47.31 84.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.753 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.05 -41.87 97.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 46.9 m -63.23 -39.1 93.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.969 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -65.28 -46.1 81.79 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -48.35 -49.93 32.46 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.865 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.01 -62.7 1.28 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.413 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -44.83 -30.78 1.04 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.291 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -65.12 -49.55 69.48 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.119 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.17 -41.46 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.934 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 20.6 p -47.5 -33.86 6.81 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.406 0.441 . . . . 0.0 110.932 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.78 139.93 53.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -62.25 -41.92 98.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.219 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 46.7 m -55.48 -42.21 74.04 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 39.5 t -69.76 138.24 52.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.43 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 11.8 p -142.26 141.16 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.249 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -144.89 62.81 1.31 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.446 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.86 -41.71 97.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.453 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptt? . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.44 120.94 24.55 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -124.14 162.66 25.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.219 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.28 142.88 47.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.633 0.583 . . . . 0.0 109.535 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 13' ' ' ILE . 58.1 t -122.65 134.89 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -127.79 117.99 22.89 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.546 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -81.3 165.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.833 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 HD11 HG22 ' A' ' 70' ' ' VAL . 75.8 mt -62.28 -25.17 67.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -75.94 -15.06 60.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.545 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.38 -7.72 43.55 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 119.876 -0.402 . . . . 0.0 112.423 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -61.51 132.73 54.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.191 0.495 . . . . 0.0 109.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m -117.11 124.19 48.61 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.511 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.0 tt -130.05 135.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.739 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.6 m -96.44 125.16 40.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -123.99 140.49 52.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.199 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -104.77 115.52 30.45 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.214 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 26' ' ' VAL . 32.2 m -138.95 153.96 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.222 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -99.02 144.45 28.22 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.388 0.43 . . . . 0.0 110.638 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.96 -35.25 79.95 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 122.168 1.912 . . . . 0.0 111.775 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -70.47 -18.33 62.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.626 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.86 142.33 46.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.62 0.247 . . . . 0.0 110.576 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -83.4 157.92 22.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.193 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -60.56 -42.88 93.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -55.9 -34.23 65.37 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.212 0.32 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -70.98 -39.95 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 17' ' ' VAL . 85.5 t -61.04 -46.26 96.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.358 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -54.96 -46.56 75.04 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.178 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.76 -40.26 62.98 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.249 0.343 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.09 -42.61 96.86 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.64 -42.59 96.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.495 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.32 -40.7 59.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.473 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.41 -36.09 81.96 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.43 -42.41 16.99 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.77 -9.77 22.62 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.95 22.84 68.96 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.3 134.61 19.67 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-N 117.305 0.552 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.55 132.57 52.63 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.265 1.976 . . . . 0.0 112.399 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.22 -36.83 94.22 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.417 2.078 . . . . 0.0 112.459 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.89 -21.37 66.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.926 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -97.58 3.48 50.51 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 123.158 0.286 . . . . 0.0 111.691 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.609 ' HB3' HD11 ' A' ' 69' ' ' LEU . 87.8 mt-30 -118.6 129.84 55.54 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.02 0.438 . . . . 0.0 111.286 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 69' ' ' LEU . 80.9 mtp180 -122.86 121.6 36.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.684 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' CD2' HD13 ' A' ' 69' ' ' LEU . 49.8 mt -99.15 133.46 43.4 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.268 0.355 . . . . 0.0 110.967 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.578 HD11 HD22 ' B' ' 220' ' ' LEU . 74.6 mt -124.02 138.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.38 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' HD1' HD23 ' A' ' 67' ' ' LEU . 74.0 t80 -126.06 130.3 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.932 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.82 24.72 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.832 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.68 19.72 53.27 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.735 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 44' ' ' ILE . 55.9 mtmt -125.51 146.11 49.8 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.372 0.586 . . . . 0.0 110.16 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -78.23 132.03 37.38 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 45' ' ' PHE . 67.6 mt -90.14 102.58 15.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.423 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.64 133.18 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.679 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.14 -38.93 71.5 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.249 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.93 8.64 35.88 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 123.438 0.461 . . . . 0.0 112.858 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -113.58 160.7 18.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.106 0.453 . . . . 0.0 110.737 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.5 p -105.72 157.93 17.08 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.912 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.07 -41.88 89.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.028 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -58.15 -32.94 68.65 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.682 0.277 . . . . 0.0 110.852 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.74 -32.71 74.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.555 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -91.19 10.89 25.19 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 57.44 54.76 6.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.441 0.639 . . . . 0.0 110.988 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -105.18 116.67 49.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -96.77 -174.27 2.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.51 138.48 58.1 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 56.66 83.8 0.1 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -131.38 149.34 52.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 m -100.61 115.65 30.69 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.344 0.402 . . . . 0.0 110.641 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' HD1' ' A' ' 45' ' ' PHE . 53.2 mt -103.99 134.96 46.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.467 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -94.21 126.26 39.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 41' ' ' GLN . 19.7 tp -109.69 138.77 45.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG22 HD11 ' A' ' 8' ' ' LEU . 40.8 t -119.53 147.55 23.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 73' ' ' LEU . 10.3 tp -103.19 134.26 46.91 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.71 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -88.25 13.5 11.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.175 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB2' HD23 ' A' ' 71' ' ' LEU . 3.4 tt -49.79 131.51 22.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.442 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -83.19 127.5 33.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.467 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.4 -37.93 94.37 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.807 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.857 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 51.3 t -123.39 132.09 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.496 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 54.5 m -119.34 127.87 53.58 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.31 150.61 27.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.333 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.495 HG23 HD13 ' B' ' 216' ' ' ILE . 20.8 m -136.99 133.92 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.238 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -70.62 147.16 49.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.68 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.38 124.48 61.05 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.92 -10.04 24.3 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.865 1.71 . . . . 0.0 112.665 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.8 t -91.7 -47.44 14.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.423 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.7 p -126.11 -16.69 5.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.56 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 63.83 75.77 0.33 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' B' ' 207' ' ' CYS . 61.7 t -134.25 137.81 51.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.428 ' C ' HG13 ' B' ' 211' ' ' ILE . 8.7 m120 -68.39 122.22 17.94 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.428 HG13 ' C ' ' B' ' 210' ' ' ASN . 58.1 mt -149.34 140.8 14.5 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.891 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.88 153.83 35.49 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.858 1.705 . . . . 0.0 110.846 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.595 ' O ' HG22 ' B' ' 216' ' ' ILE . 74.0 tt0 -62.97 -16.75 60.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 68.2 p -86.7 -42.3 13.48 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.612 0.244 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -76.14 -4.79 43.51 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.312 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.595 HG22 ' O ' ' B' ' 213' ' ' GLU . 9.2 tp -65.11 -39.2 84.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 O-C-N 122.969 0.168 . . . . 0.0 111.299 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.09 -46.83 87.32 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.349 0.406 . . . . 0.0 110.488 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.42 -43.48 77.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.063 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -58.8 -39.7 81.88 Favored 'General case' 0 CA--C 1.527 0.066 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.891 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 44' ' ' ILE . 32.9 mt -59.36 -39.27 82.71 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.161 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.74 -34.52 78.06 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 34.4 t -77.91 -49.32 14.41 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.285 0.366 . . . . 0.0 111.395 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -44.73 96.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.744 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.81 -38.9 92.83 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.821 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 4.7 t -57.42 -35.73 70.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -61.19 -44.57 97.08 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.962 0.41 . . . . 0.0 109.95 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -56.25 -34.11 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.694 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.33 -16.29 60.42 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.507 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.92 -37.0 35.56 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 120.44 0.162 . . . . 0.0 110.892 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.87 -44.79 96.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -53.15 -67.09 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.318 0.386 . . . . 0.0 110.59 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 34.2 t -127.89 119.53 25.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.434 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.88 149.61 43.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.867 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -65.64 83.44 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 O-C-N 123.547 0.53 . . . . 0.0 110.297 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 41.4 m -61.63 -39.35 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.101 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 45.7 p -149.26 167.88 24.82 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 10.4 p -119.44 137.46 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.117 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.62 -42.98 85.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.186 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -72.04 132.76 44.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.456 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.401 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ttp . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' NE2' HG21 ' A' ' 14' ' ' THR . 48.5 tt0 -85.3 120.65 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.588 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.42 161.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.095 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -117.49 144.29 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.575 0.547 . . . . 0.0 109.591 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' A' ' 13' ' ' ILE . 60.3 t -123.41 134.58 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -124.28 119.44 29.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.995 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.7 p -80.67 165.57 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.897 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 70' ' ' VAL . 83.2 mt -66.17 -22.76 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.436 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.8 p -74.75 -18.96 60.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.46 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.32 -15.28 30.26 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.909 -0.384 . . . . 0.0 112.437 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.44 150.59 26.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.093 0.447 . . . . 0.0 109.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -128.32 131.4 48.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.4 tt -132.63 133.73 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.794 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 HG21 ' NE2' ' A' ' 2' ' ' GLN . 31.8 m -96.94 124.56 40.95 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 tp -116.66 136.92 52.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.12 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -101.07 110.91 23.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.17 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.0 173.6 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.853 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.94 150.24 55.61 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.465 0.478 . . . . 0.0 110.472 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -34.94 87.43 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 122.065 1.844 . . . . 0.0 112.128 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.8 p -71.12 -21.29 62.22 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.723 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.71 140.45 55.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.653 0.263 . . . . 0.0 110.587 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 55' ' ' THR . 12.4 p -84.9 159.98 20.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.099 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.63 -43.53 94.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -54.06 -33.53 57.69 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.883 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -71.04 -39.47 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.259 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.48 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.34 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.93 -49.44 71.3 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.304 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.48 -39.67 61.44 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.209 0.318 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.75 -42.27 97.88 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.458 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -46.37 -41.59 13.74 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.341 0.4 . . . . 0.0 110.819 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.07 -35.02 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -88.13 -37.51 16.13 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -101.55 -19.36 15.52 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.84 74.88 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.038 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD13 HE21 ' A' ' 41' ' ' GLN . 60.8 mt -106.92 133.82 20.11 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 117.448 0.624 . . . . 0.0 110.859 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.85 137.8 60.6 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.29 1.993 . . . . 0.0 112.904 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 -38.59 93.58 Favored 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.424 2.082 . . . . 0.0 112.255 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -66.98 -17.65 65.02 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.642 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.21 0.55 51.23 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.441 HE21 HD13 ' A' ' 36' ' ' ILE . 45.8 mm-40 -121.43 130.66 53.71 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.793 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -124.85 127.19 46.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.306 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -102.11 140.13 36.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.474 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.538 HD11 HD22 ' B' ' 220' ' ' LEU . 86.8 mt -129.36 142.23 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.331 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.6 136.95 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.92 19.74 0.49 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.12 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 101.35 -22.58 38.45 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 120.017 -0.324 . . . . 0.0 112.876 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -99.01 150.37 22.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.14 0.47 . . . . 0.0 110.477 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -77.07 152.75 34.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.689 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.9 mt -97.13 119.71 36.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.238 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -66.58 126.45 28.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -59.84 -36.11 76.14 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.235 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.43 12.52 45.48 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.814 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -116.81 166.73 11.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 117.133 0.467 . . . . 0.0 110.671 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 22' ' ' THR . 45.3 p -107.08 160.7 15.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.975 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.3 -41.68 97.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.291 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -59.56 -35.85 75.06 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.33 0.394 . . . . 0.0 110.84 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.49 -16.78 64.0 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.721 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -103.59 8.47 37.61 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 56.63 50.96 11.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.312 0.577 . . . . 0.0 110.614 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -100.51 115.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.11 -179.65 6.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.309 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.38 142.93 57.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.032 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 53.66 90.32 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 p -136.46 153.57 51.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.78 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 m -102.72 115.59 30.89 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.293 0.37 . . . . 0.0 110.554 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -100.94 146.49 27.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.486 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -96.08 127.26 41.94 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.391 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 tp -110.51 135.11 51.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG22 HD11 ' A' ' 8' ' ' LEU . 45.2 t -127.41 148.09 32.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -102.94 132.79 48.93 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -105.43 87.59 2.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.983 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.96 146.83 49.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.15 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -70.3 -41.03 73.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.77 -57.36 19.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 117.955 -1.47 . . . . 0.0 110.911 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 14.7 p -155.38 143.59 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 28.6 m -113.91 119.05 35.93 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.79 155.14 47.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.608 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 20.4 m -151.1 145.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.095 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.22 152.6 38.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.638 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.7 t -87.68 124.69 67.06 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.38 -14.64 37.64 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 121.791 1.661 . . . . 0.0 112.599 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.47 HG13 ' OE2' ' B' ' 227' ' ' GLU . 36.8 t -89.1 -51.56 12.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.963 -178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.0 p -121.92 -13.89 8.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.532 -175.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.61 77.43 0.19 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.474 HG23 ' SG ' ' B' ' 207' ' ' CYS . 78.9 t -134.42 141.58 43.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.412 ' C ' HG13 ' B' ' 211' ' ' ILE . 4.6 t-20 -68.66 117.35 10.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.412 HG13 ' C ' ' B' ' 210' ' ' ASN . 79.6 mt -149.59 138.45 12.47 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.06 158.63 17.06 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.133 1.888 . . . . 0.0 110.371 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.73 -39.29 88.08 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.363 0.414 . . . . 0.0 111.289 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 42.7 t -67.16 -41.38 86.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.658 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.7 -13.17 61.65 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.247 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.12 -42.42 91.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -55.94 -48.27 76.06 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.7 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.92 -42.88 69.32 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.557 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.51 -35.35 70.13 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.806 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 44' ' ' ILE . 33.1 mt -61.37 -39.17 89.67 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.77 -35.35 80.29 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.042 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 77.9 p -78.83 -42.55 27.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.56 -49.22 69.68 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.705 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 59.7 mt -65.04 -40.29 94.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.807 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 74.9 p -62.78 -37.0 84.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.936 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -59.12 -46.01 89.45 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' B' ' 206' ' ' VAL . 99.1 mt-10 -52.17 -47.86 65.26 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.789 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.89 -19.78 65.99 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.155 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -76.0 -51.87 11.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.604 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.41 160.84 26.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 3.2 p 70.09 176.1 0.28 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.537 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 72.6 mt -44.65 158.29 0.06 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.739 0.649 . . . . 0.0 110.241 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -52.44 138.56 27.09 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.283 0.365 . . . . 0.0 111.067 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 61.4 p -151.18 37.23 0.61 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 59.2 m -57.94 -39.02 77.03 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.152 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.63 144.72 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.365 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -110.18 159.76 17.09 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -62.15 -45.69 92.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.408 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.124 -179.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ttp . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.448 ' NE2' HG21 ' A' ' 14' ' ' THR . 49.8 tt0 -87.19 120.83 28.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.213 0.946 . . . . 0.0 109.284 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.72 160.94 29.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.023 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -116.82 143.97 45.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.539 0.524 . . . . 0.0 109.602 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 13' ' ' ILE . 61.9 t -124.09 134.64 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.02 120.37 30.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.54 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -79.5 166.38 22.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.922 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.652 HD11 HG22 ' A' ' 70' ' ' VAL . 80.3 mt -64.96 -23.18 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.438 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.5 p -75.38 -18.46 59.95 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.526 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 -11.1 32.21 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-O 119.931 -0.372 . . . . 0.0 112.427 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.03 150.84 28.01 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 117.107 0.453 . . . . 0.0 109.897 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -129.87 129.14 43.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.674 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG23 ' HB ' ' A' ' 5' ' ' VAL . 14.4 tt -132.76 135.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.804 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 HG21 ' NE2' ' A' ' 2' ' ' GLN . 33.3 m -97.82 123.62 41.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -117.3 133.08 56.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.207 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -97.02 112.46 24.21 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.35 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.4 173.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -123.97 151.75 65.5 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 123.255 0.347 . . . . 0.0 110.532 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.73 -35.2 87.02 Favored 'Trans proline' 0 N--CA 1.503 2.065 0 C-N-CA 122.347 2.031 . . . . 0.0 111.794 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -69.34 -21.0 63.86 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.515 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.38 138.38 49.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 HG22 HG22 ' A' ' 55' ' ' THR . 17.7 p -83.69 158.15 21.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -59.63 -42.01 86.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.514 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.84 -34.69 69.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.45 0.469 . . . . 0.0 110.246 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.62 -39.89 76.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.458 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -61.16 -46.22 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.587 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.16 -46.93 79.1 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.302 0.376 . . . . 0.0 110.005 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.53 -42.11 67.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.323 0.39 . . . . 0.0 110.608 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.46 -42.42 99.46 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.68 -42.82 97.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.412 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -49.63 -40.92 41.03 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.494 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -66.74 -36.89 83.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.87 -40.64 22.11 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -101.28 -7.84 22.67 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.27 22.35 69.11 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -109.34 131.9 21.58 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 117.221 0.51 . . . . 0.0 110.98 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.12 144.52 99.48 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.178 1.918 . . . . 0.0 112.636 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.84 -37.27 92.64 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.346 2.03 . . . . 0.0 112.396 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.22 -44.07 83.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -77.7 -10.88 59.77 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -108.88 126.38 53.0 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.983 0.42 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -125.5 131.11 52.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.043 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -106.12 132.34 52.31 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.344 0.402 . . . . 0.0 111.27 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.619 HD11 HD22 ' B' ' 220' ' ' LEU . 80.5 mt -121.55 139.09 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.278 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -135.5 147.92 49.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.08 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.23 25.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.859 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.13 27.77 47.91 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-O 119.861 -0.41 . . . . 0.0 113.117 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' ILE . 54.6 pttt -145.42 153.35 41.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.031 0.416 . . . . 0.0 110.623 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -76.46 142.89 40.84 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.006 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.31 115.83 28.4 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.05 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -68.35 124.58 23.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.57 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.9 -28.55 67.67 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.593 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.38 5.4 80.94 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.509 0.506 . . . . 0.0 112.934 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -115.62 157.32 24.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.968 0.384 . . . . 0.0 110.962 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.437 HG22 HG22 ' A' ' 22' ' ' THR . 34.1 p -95.84 161.82 13.85 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.87 0.732 . . . . 0.0 111.124 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.18 -41.63 98.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.155 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m -57.53 -32.84 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.152 0.283 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -70.08 -10.18 57.87 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -105.25 7.83 33.68 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.79 40.04 29.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.151 0.501 . . . . 0.0 110.694 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -93.78 123.46 45.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -95.28 -177.6 4.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.97 139.18 58.74 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.186 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 55.96 92.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -135.27 150.01 49.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.75 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -101.86 111.86 24.26 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.401 0.438 . . . . 0.0 110.71 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.2 mt -98.32 149.62 22.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.426 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -99.59 124.22 44.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.064 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 tp -107.27 133.98 51.02 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.652 HG22 HD11 ' A' ' 8' ' ' LEU . 39.8 t -126.81 148.88 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -108.25 129.23 55.21 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -102.28 87.0 2.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.179 0.514 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 tp -120.56 133.1 55.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.376 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.38 148.74 22.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.283 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.13 -136.86 4.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.911 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.21 126.64 69.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.584 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 17.9 p -86.27 162.57 18.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.2 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.52 149.66 49.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.502 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 216' ' ' ILE . 28.4 m -142.16 139.22 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -75.53 153.41 37.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.927 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 49.6 t -90.83 121.36 68.2 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.239 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -70.6 -12.18 30.89 Favored 'Trans proline' 0 N--CA 1.507 2.312 0 C-N-CA 121.872 1.714 . . . . 0.0 112.614 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.34 -51.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.697 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.9 p -121.73 -16.16 7.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.744 -175.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 64.62 73.67 0.55 Allowed Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.457 HG23 ' SG ' ' B' ' 207' ' ' CYS . 52.9 t -132.18 135.72 57.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.419 ' C ' HG13 ' B' ' 211' ' ' ILE . 12.7 t-20 -68.14 121.28 15.83 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.419 HG13 ' C ' ' B' ' 210' ' ' ASN . 58.7 mt -149.21 139.71 13.61 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.759 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -54.35 158.38 9.93 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.865 1.71 . . . . 0.0 111.027 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.605 ' O ' HG22 ' B' ' 216' ' ' ILE . 70.9 tt0 -66.41 -16.47 64.12 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.424 0.452 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 58.2 m -87.06 -44.42 11.57 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.417 0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -78.2 -8.18 58.01 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.605 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.5 tp -65.79 -40.15 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 123.326 0.391 . . . . 0.0 111.242 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.09 -47.13 86.03 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.463 0.477 . . . . 0.0 110.236 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.65 -45.29 79.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.882 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -57.25 -34.15 68.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.556 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 44' ' ' ILE . 25.6 mt -60.38 -38.98 85.65 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.341 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.52 -36.02 82.83 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 72.5 m -74.74 -42.16 58.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.367 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -42.74 90.1 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.681 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.96 -40.14 95.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.483 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 46.9 m -60.14 -38.87 84.4 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -59.22 -47.62 84.65 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.55 -34.74 1.47 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.0 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -98.76 -24.84 14.87 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.286 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -68.03 -33.6 74.9 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.351 0.407 . . . . 0.0 110.712 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' B' ' 233' ' ' LEU . 60.1 tttp -53.17 -46.17 68.82 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.83 -30.91 70.37 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.651 0.262 . . . . 0.0 110.936 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 15.4 m -70.84 -31.86 68.7 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.135 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' B' ' 230' ' ' LYS . 80.8 mt -52.31 -64.44 0.81 Allowed 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.647 0.592 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -107.66 168.45 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 22.3 p -150.95 169.98 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.179 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 57.1 m -56.85 -37.98 72.04 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.565 0.541 . . . . 0.0 110.265 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.79 129.36 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -69.77 -39.06 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.449 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.03 -40.8 94.95 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.272 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttm . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -85.77 116.99 24.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.175 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.86 164.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.193 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CE1' HG23 ' A' ' 14' ' ' THR . 92.4 m-85 -122.8 143.11 50.05 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.585 0.553 . . . . 0.0 109.513 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.56 134.87 64.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -124.38 118.46 26.76 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.687 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -79.95 164.89 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.985 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 HG22 ' A' ' 70' ' ' VAL . 77.4 mt -63.42 -24.19 67.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.401 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -75.72 -13.22 60.3 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.559 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.61 -7.11 49.75 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 119.891 -0.394 . . . . 0.0 112.4 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -62.56 150.83 39.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.266 0.533 . . . . 0.0 109.8 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -131.47 128.48 39.53 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -132.38 132.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.744 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.42 HG23 ' CE1' ' A' ' 4' ' ' PHE . 22.3 m -95.11 123.82 38.81 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.82 138.17 53.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.606 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -98.36 125.89 43.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.7 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -145.3 -171.06 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.079 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -143.14 148.91 46.77 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 123.241 0.338 . . . . 0.0 110.332 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.48 -36.07 78.51 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.132 1.888 . . . . 0.0 111.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.7 p -71.96 -24.6 61.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.71 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.47 138.87 55.58 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.497 HG22 HG22 ' A' ' 55' ' ' THR . 75.6 p -85.85 160.05 19.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.48 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.83 -42.49 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.55 -36.5 64.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.917 0.389 . . . . 0.0 110.338 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.37 -38.78 81.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.522 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.51 -44.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.303 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.68 -48.71 72.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.123 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.16 68.88 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.299 0.374 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.55 -42.57 99.62 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.48 -42.91 97.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.395 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -47.25 -42.36 20.35 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.111 0.257 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.77 -35.64 79.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.64 -40.91 15.69 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -102.49 -14.09 16.96 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.67 22.02 63.56 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.919 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -103.78 135.27 19.39 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 117.447 0.624 . . . . 0.0 110.726 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.63 138.96 88.64 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.164 1.909 . . . . 0.0 112.812 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.66 -37.83 96.87 Favored 'Trans proline' 0 N--CA 1.503 2.068 0 C-N-CA 122.351 2.034 . . . . 0.0 112.48 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -63.22 -38.34 90.79 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.424 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 71' ' ' LEU . 40.4 tt0 -77.25 -5.59 49.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.733 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -120.29 130.52 54.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.435 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -123.84 124.72 43.28 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.279 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.95 139.73 31.73 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.413 0.445 . . . . 0.0 111.571 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CD1' HD22 ' B' ' 220' ' ' LEU . 84.7 mt -131.36 140.17 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.348 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CD1' HD23 ' A' ' 67' ' ' LEU . 70.0 t80 -139.38 120.31 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.224 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.68 24.54 5.43 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.835 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' HA2' HG22 ' B' ' 206' ' ' VAL . . . 85.43 13.26 71.04 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-O 119.97 -0.35 . . . . 0.0 113.126 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -134.17 150.1 51.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.102 0.451 . . . . 0.0 110.345 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -76.39 155.21 34.22 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -102.59 123.81 46.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -75.97 122.8 24.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.621 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -56.15 -31.65 63.55 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.565 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 8.23 58.93 Favored Glycine 0 CA--C 1.536 1.398 0 O-C-N 123.508 0.505 . . . . 0.0 112.838 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -117.17 159.88 21.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 117.287 0.544 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.497 HG22 HG22 ' A' ' 22' ' ' THR . 25.6 p -99.71 160.38 14.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.455 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.42 -42.45 98.77 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.083 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.0 p -58.48 -31.07 67.49 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.338 0.399 . . . . 0.0 110.76 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.21 -22.79 65.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.518 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.26 9.53 39.43 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 57.42 37.73 27.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.113 0.482 . . . . 0.0 110.635 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -92.03 125.45 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -98.41 -175.82 3.21 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.336 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.34 143.6 56.29 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.38 79.46 0.14 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -126.32 151.58 47.36 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.422 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 m -101.46 112.52 25.08 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.312 0.383 . . . . 0.0 110.927 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 45' ' ' PHE . 47.3 mt -98.93 141.49 31.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -95.19 124.81 39.43 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.512 0.508 . . . . 0.0 110.219 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.07 136.28 47.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.331 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG22 HD11 ' A' ' 8' ' ' LEU . 56.9 t -123.45 147.0 27.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 40' ' ' GLN . 14.5 tp -115.81 123.58 48.55 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -92.64 93.12 8.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.6 149.62 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.616 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 58.27 155.72 0.02 OUTLIER 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.884 0.74 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.26 -129.5 6.46 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.005 -1.442 . . . . 0.0 110.853 179.803 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.76 137.4 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.093 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 7.1 m -64.02 142.23 58.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.228 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -136.32 150.83 49.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.508 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.2 m -134.82 132.76 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.068 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -69.61 145.73 52.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.754 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.15 121.26 75.49 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.887 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -68.26 -15.95 43.27 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.224 1.949 . . . . 0.0 112.851 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.458 HG22 ' HA2' ' A' ' 47' ' ' GLY . 31.6 t -83.72 -54.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.057 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.0 p -116.65 -6.42 11.61 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.729 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.95 69.57 1.24 Allowed Glycine 0 C--N 1.34 0.762 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 77.1 t -134.11 137.14 52.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.427 ' C ' HG13 ' B' ' 211' ' ' ILE . 15.9 m120 -68.94 129.75 40.82 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.427 HG13 ' C ' ' B' ' 210' ' ' ASN . 72.3 mt -152.99 142.22 14.61 Favored Pre-proline 0 CA--C 1.544 0.72 0 O-C-N 123.353 0.408 . . . . 0.0 110.589 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.96 160.73 24.55 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.981 1.787 . . . . 0.0 111.102 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.439 ' O ' HG22 ' B' ' 216' ' ' ILE . 97.5 mt-10 -68.16 -29.37 68.23 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.425 0.453 . . . . 0.0 111.216 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 79.8 p -84.12 11.43 8.07 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.38 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -132.31 -12.61 3.13 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.439 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.0 tp -66.69 -39.52 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 122.96 0.162 . . . . 0.0 111.247 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.34 -47.33 86.53 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.381 0.426 . . . . 0.0 110.531 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -69.74 -44.97 69.18 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.02 -36.74 73.12 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 44' ' ' ILE . 28.7 mt -60.95 -40.21 92.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.276 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.17 -35.09 79.65 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.2 p -77.6 -41.25 39.33 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.64 94.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.809 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.61 -38.96 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 58.2 m -61.48 -38.47 87.4 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.86 -48.15 83.13 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.412 0.445 . . . . 0.0 110.424 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -40.38 -46.14 2.31 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.884 0.74 . . . . 0.0 111.181 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.86 -54.72 7.34 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 123.61 0.569 . . . . 0.0 110.008 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -42.09 -56.45 2.84 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.638 0.586 . . . . 0.0 110.946 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.1 -50.78 52.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.462 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 63.53 -75.22 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.596 0.56 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 47.5 t -160.01 165.76 31.3 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' B' ' 234' ' ' ARG . 72.7 mt -108.82 115.89 30.95 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.306 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' B' ' 233' ' ' LEU . 82.1 mtp180 4.04 -81.15 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.148 1.53 . . . . 0.0 111.885 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 62.9 m -135.17 150.77 50.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 28.2 t -72.99 146.09 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.978 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.91 130.57 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.41 -41.48 96.6 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.501 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -82.74 144.99 29.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.64 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HB2' HG23 ' A' ' 17' ' ' VAL . 75.7 mtp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -84.31 100.85 11.52 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 pt -114.46 141.7 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.288 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' HD1' ' HG1' ' A' ' 14' ' ' THR . 89.8 m-85 -101.13 141.19 34.38 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.554 0.534 . . . . 0.0 109.703 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.441 ' HB ' HG23 ' A' ' 13' ' ' ILE . 60.1 t -118.04 133.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -125.64 119.21 27.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.858 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 p -80.73 164.97 22.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.036 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD11 HG22 ' A' ' 70' ' ' VAL . 86.8 mt -63.1 -25.43 68.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.679 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.1 p -74.59 -17.3 60.74 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 123.541 0.525 . . . . 0.0 111.552 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.83 -5.73 32.7 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.831 -0.427 . . . . 0.0 112.486 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.94 151.93 38.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.131 0.466 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 m -133.44 127.51 33.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.739 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.441 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.6 tt -134.19 129.36 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.778 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.435 ' HG1' ' HD1' ' A' ' 4' ' ' PHE . 18.8 m -90.04 127.25 36.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -126.92 135.39 50.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.344 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -94.53 140.11 30.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.708 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 1' ' ' MET . 29.1 m -150.4 -169.86 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.182 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -144.1 148.76 42.93 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 123.341 0.401 . . . . 0.0 110.527 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.81 -34.12 90.29 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.247 1.964 . . . . 0.0 111.998 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -82.7 -10.58 58.85 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.546 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.33 135.25 38.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 55' ' ' THR . 72.7 p -83.84 159.48 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.408 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.08 -42.34 92.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.34 -35.63 62.92 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.314 0.384 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.6 -39.28 80.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.95 -45.7 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.461 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.04 -47.21 78.29 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.135 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.4 -39.65 67.48 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.349 0.406 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.85 -42.64 99.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' A' ' 41' ' ' GLN . 93.5 mt -63.79 -43.16 97.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.331 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -43.94 -48.44 8.56 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 123.17 0.294 . . . . 0.0 110.797 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.36 -33.67 76.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -83.2 -46.05 13.16 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -104.56 -9.93 17.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.48 25.73 67.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.25 130.95 22.42 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 117.335 0.568 . . . . 0.0 110.894 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -56.87 139.34 89.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.266 1.977 . . . . 0.0 112.62 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.17 -38.98 93.26 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.39 2.06 . . . . 0.0 112.402 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.16 -36.77 82.86 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.482 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' NE2' HD23 ' A' ' 73' ' ' LEU . 39.4 tt0 -80.74 -7.75 59.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' OE1' HG21 ' A' ' 30' ' ' ILE . 47.0 mt-30 -107.05 123.27 47.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.046 0.451 . . . . 0.0 111.361 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -119.81 115.41 23.79 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.319 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 69' ' ' LEU . 51.6 mt -96.94 135.45 38.91 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.474 0.484 . . . . 0.0 111.114 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.531 HD11 HD22 ' B' ' 220' ' ' LEU . 88.7 mt -126.91 143.28 40.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.301 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' HD1' HD23 ' A' ' 67' ' ' LEU . 89.6 t80 -135.06 138.96 44.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.978 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 22.16 0.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.7 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' O ' HG22 ' B' ' 206' ' ' VAL . . . 98.21 -21.41 46.18 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 119.891 -0.394 . . . . 0.0 112.982 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.25 150.31 22.22 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.215 0.507 . . . . 0.0 110.573 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -77.56 146.86 36.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 110.923 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -88.76 126.16 35.21 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.183 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -76.73 125.32 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.457 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.02 -38.84 73.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.623 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.31 49.58 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 123.505 0.503 . . . . 0.0 112.905 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -114.72 158.97 21.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.073 0.436 . . . . 0.0 110.716 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 22' ' ' THR . 33.8 p -102.47 160.32 14.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.132 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.5 -40.26 90.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.945 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.5 t -59.33 -36.63 76.02 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.636 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -65.76 -18.42 65.32 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -98.98 2.38 46.32 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.06 42.63 25.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.285 0.564 . . . . 0.0 110.513 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.55 119.94 43.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -88.07 -179.81 6.26 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -72.15 149.74 44.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 58.54 75.32 0.4 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.861 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.1 p -131.54 149.91 52.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.739 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -102.43 119.0 38.09 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.399 0.437 . . . . 0.0 110.657 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD23 ' HD1' ' A' ' 45' ' ' PHE . 62.9 mt -102.01 151.25 22.36 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -103.53 126.44 50.68 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.053 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 43' ' ' LEU . 20.6 tp -112.55 137.49 50.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.683 HG22 HD11 ' A' ' 8' ' ' LEU . 46.9 t -129.73 146.28 34.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -100.97 137.75 38.94 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.816 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -103.03 86.99 2.8 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 123.745 0.653 . . . . 0.0 109.518 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' NE2' ' A' ' 40' ' ' GLN . 50.9 mt -86.55 3.88 42.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.911 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -135.82 122.45 20.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.06 33.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.718 0 CA-C-O 117.989 -1.45 . . . . 0.0 110.931 -179.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.47 131.28 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.563 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . 0.44 HG22 ' N ' ' B' ' 201' ' ' LYS . 24.0 m -73.87 159.53 32.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.271 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . 0.44 ' N ' HG22 ' B' ' 200' ' ' THR . 98.5 mttt -138.91 153.49 48.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.64 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 216' ' ' ILE . 30.5 m -139.96 136.1 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.135 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.32 150.13 45.44 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.852 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.34 119.93 69.13 Favored Pre-proline 0 CA--C 1.544 0.745 0 O-C-N 123.25 0.344 . . . . 0.0 110.232 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -67.3 -13.57 39.91 Favored 'Trans proline' 0 N--CA 1.508 2.334 0 C-N-CA 122.298 1.999 . . . . 0.0 112.817 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' GLY . 17.3 t -87.75 -52.04 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.115 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.447 ' SG ' HG23 ' B' ' 209' ' ' VAL . 12.5 p -122.12 -14.65 7.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.754 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 64.64 75.03 0.41 Allowed Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.447 HG23 ' SG ' ' B' ' 207' ' ' CYS . 63.4 t -135.36 137.86 49.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.425 ' C ' HG13 ' B' ' 211' ' ' ILE . 10.1 m120 -68.37 124.16 22.76 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.425 HG13 ' C ' ' B' ' 210' ' ' ASN . 65.2 mt -151.69 141.16 14.17 Favored Pre-proline 0 CA--C 1.541 0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.743 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.17 158.4 18.19 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.815 1.677 . . . . 0.0 111.041 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.613 ' O ' HG22 ' B' ' 216' ' ' ILE . 97.1 mt-10 -66.96 -14.49 62.9 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.446 0.466 . . . . 0.0 111.465 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 20.3 m -87.67 -44.59 11.08 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.216 0.323 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -79.05 -7.39 58.08 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.914 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.613 HG22 ' O ' ' B' ' 213' ' ' GLU . 9.2 tp -66.33 -39.74 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 O-C-N 123.152 0.283 . . . . 0.0 111.236 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.93 -46.88 87.38 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.403 0.439 . . . . 0.0 110.374 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -68.5 -44.1 75.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.787 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -57.84 -35.73 71.32 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 44' ' ' ILE . 33.3 mt -61.67 -38.25 87.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.243 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.13 -35.87 81.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.2 p -76.24 -41.16 50.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -47.52 68.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.789 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.65 -39.95 95.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.703 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 39.6 t -59.11 -38.34 79.34 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -54.5 -45.16 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.921 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -53.25 -40.51 64.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.58 -26.55 60.0 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.513 0.508 . . . . 0.0 111.174 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -70.76 -45.14 65.33 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.118 0.261 . . . . 0.0 110.733 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.9 -50.31 64.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.302 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 39.92 82.5 0.02 OUTLIER 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.361 0.413 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 7.1 p -136.25 138.84 42.23 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.476 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.68 -37.29 67.94 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.565 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.53 -38.25 83.81 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 35.4 t -52.38 -31.49 34.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.726 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 51.4 p -57.66 -34.85 69.81 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.323 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 55.3 t -110.51 134.65 52.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.899 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -98.75 126.41 44.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.292 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -62.01 -41.15 97.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.458 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttp . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -86.48 122.77 30.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.465 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -126.66 156.95 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.87 146.24 38.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.62 0.575 . . . . 0.0 109.591 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.423 ' HB ' HG23 ' A' ' 13' ' ' ILE . 57.6 t -127.06 137.04 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -126.57 120.31 29.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.909 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 69' ' ' LEU . 72.5 p -79.75 165.19 23.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.855 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 70' ' ' VAL . 81.2 mt -65.08 -23.22 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.622 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 p -75.59 -16.83 60.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.359 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 -6.41 35.9 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.874 -0.403 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.43 149.29 48.73 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.169 0.485 . . . . 0.0 109.832 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -128.1 127.07 42.39 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.7 tt -130.17 135.76 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.757 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -98.44 122.97 42.29 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -117.49 134.53 54.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.446 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -98.95 114.83 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.676 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -141.83 173.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -123.05 153.24 64.29 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.247 0.342 . . . . 0.0 110.689 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.48 -35.54 92.41 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.217 1.945 . . . . 0.0 111.972 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -68.29 -22.5 64.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.616 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -71.03 138.37 49.8 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.192 0.307 . . . . 0.0 110.327 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 55' ' ' THR . 12.9 p -84.18 161.62 20.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.56 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.22 -43.07 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.682 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.45 -33.66 69.97 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.471 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.19 -40.23 78.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.722 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.76 -44.26 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.476 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.25 -49.57 69.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.339 0.399 . . . . 0.0 110.254 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.7 64.02 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.285 0.366 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.44 -42.46 99.48 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.04 -42.76 97.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -51.95 -39.68 59.64 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.7 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.62 -35.65 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -83.75 -43.92 14.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -97.14 -12.74 22.72 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.84 20.34 77.52 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.17 133.18 20.34 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 117.406 0.603 . . . . 0.0 110.835 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.49 145.74 36.09 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.105 1.87 . . . . 0.0 112.753 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.98 -32.33 35.4 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.364 2.043 . . . . 0.0 112.16 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -70.69 -23.47 62.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.462 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -93.0 9.12 37.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB3' HD11 ' A' ' 69' ' ' LEU . 73.2 mt-30 -123.18 131.5 53.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.02 0.438 . . . . 0.0 111.207 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -123.61 121.3 35.23 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.152 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -98.47 136.32 38.77 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.326 0.391 . . . . 0.0 111.353 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.528 HD11 HD22 ' B' ' 220' ' ' LEU . 96.7 mt -125.16 139.81 50.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.156 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 75.3 t80 -142.44 119.58 11.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.948 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 71.98 23.21 3.55 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.774 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 9.61 68.42 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 121.58 -0.343 . . . . 0.0 113.024 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -133.4 149.28 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.186 0.493 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -76.06 159.9 30.33 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.093 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -104.0 114.55 28.87 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.13 128.18 34.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.403 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -57.3 -35.34 69.7 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.507 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 12.12 47.32 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.556 0.535 . . . . 0.0 113.014 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.7 mmt-85 -115.85 162.44 17.31 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.994 0.397 . . . . 0.0 110.699 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 22' ' ' THR . 73.4 p -105.83 160.22 15.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.66 -41.48 99.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.229 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.8 p -60.78 -32.45 71.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.14 -17.28 63.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.881 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.54 11.25 39.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.25 48.72 16.7 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.292 0.568 . . . . 0.0 110.64 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.8 mt -101.67 120.65 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -93.62 -176.6 4.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.01 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.48 141.28 58.55 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 54.25 90.56 0.03 OUTLIER 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -135.06 149.83 50.17 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.783 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 m -101.43 113.34 26.36 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.347 0.404 . . . . 0.0 110.759 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.6 mt -98.27 153.53 18.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.214 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -101.9 124.97 48.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.992 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 7' ' ' THR . 17.7 tp -107.67 134.46 50.62 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.195 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 8' ' ' LEU . 45.2 t -131.83 147.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -98.94 131.45 45.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.87 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -96.31 89.92 5.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.95 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.6 tp -78.95 142.67 36.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.261 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -65.02 -43.72 91.53 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.86 46.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.982 -1.455 . . . . 0.0 110.929 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.02 131.17 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.492 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 3.2 t -131.65 135.15 46.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.64 148.57 51.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.482 HG23 HD13 ' B' ' 216' ' ' ILE . 27.3 m -138.84 135.44 42.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.266 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -70.05 146.88 50.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.928 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.9 t -87.69 121.63 70.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.207 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.08 -12.9 30.95 Favored 'Trans proline' 0 N--CA 1.507 2.287 0 C-N-CA 121.912 1.742 . . . . 0.0 112.833 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.63 -51.99 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.822 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 12.4 p -120.96 -9.57 9.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.774 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.26 75.68 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 70.7 t -138.17 140.16 40.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.486 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.0 m120 -68.19 123.36 20.5 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.63 HD13 ' CG ' ' B' ' 219' ' ' HIS . 55.4 mt -148.38 141.81 15.76 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 151.69 45.4 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.929 1.752 . . . . 0.0 110.895 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.562 ' O ' HG22 ' B' ' 216' ' ' ILE . 70.8 tt0 -63.56 -17.8 63.21 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 59.5 p -87.25 -43.65 12.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -75.71 -1.06 23.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.066 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.562 HG22 ' O ' ' B' ' 213' ' ' GLU . 9.3 tp -66.53 -39.8 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 123.225 0.328 . . . . 0.0 111.286 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -62.7 -50.23 71.97 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.491 0.494 . . . . 0.0 110.539 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.67 -43.21 90.03 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.63 ' CG ' HD13 ' B' ' 211' ' ' ILE . 83.3 t60 -58.96 -42.18 89.27 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 44' ' ' ILE . 28.8 mt -60.36 -38.55 84.21 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.21 -36.02 80.67 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.603 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 5.1 t -78.84 -48.23 15.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.63 -43.28 89.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.678 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.53 -39.74 92.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 58.8 m -57.06 -35.87 69.85 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -56.8 -46.22 81.72 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.72 -34.92 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.711 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.68 -25.19 66.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -70.67 -45.35 65.23 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 123.245 0.341 . . . . 0.0 110.867 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -96.68 25.66 5.04 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -49.71 163.23 0.13 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 22.0 p 55.98 -165.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.664 0.602 . . . . 0.0 109.913 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 78.8 mt -135.15 -36.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.567 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.52 -43.36 73.19 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.72 0.637 . . . . 0.0 110.841 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 36.7 t -64.11 -43.66 94.66 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.295 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 29.4 t -61.19 138.29 58.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.51 150.9 24.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 O-C-N 123.705 0.628 . . . . 0.0 110.07 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.0 147.8 36.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -124.71 145.71 49.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.6 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.623 179.737 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -83.8 122.68 29.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.271 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.68 150.23 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.232 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE1' HG23 ' A' ' 14' ' ' THR . 71.4 m-85 -104.74 144.43 31.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 13' ' ' ILE . 93.0 t -122.85 137.2 57.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -129.77 121.94 27.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.724 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.4 p -80.41 165.24 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.96 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD13 HG21 ' B' ' 202' ' ' VAL . 74.7 mt -64.72 -22.4 66.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.554 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.8 p -77.45 -18.66 56.98 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.473 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.37 26.85 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.87 -0.406 . . . . 0.0 112.404 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.47 148.07 34.32 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.212 0.506 . . . . 0.0 109.838 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m -130.06 126.99 38.98 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 5' ' ' VAL . 12.8 tt -132.47 132.47 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.758 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.466 HG23 ' CE1' ' A' ' 4' ' ' PHE . 25.0 m -94.41 124.33 38.37 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -119.05 140.35 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.416 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -103.89 120.39 40.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.714 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.55 176.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.154 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.87 152.56 62.84 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 123.436 0.46 . . . . 0.0 110.591 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.01 -25.84 72.26 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.213 1.942 . . . . 0.0 111.943 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -77.28 -21.5 53.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.612 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -69.86 140.93 53.28 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.182 0.301 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -81.93 159.3 23.65 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -60.66 -42.21 91.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.78 -34.39 74.42 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.404 0.44 . . . . 0.0 110.147 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.93 -40.38 87.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.481 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.52 -44.65 99.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.495 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.78 -47.81 73.47 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.326 0.391 . . . . 0.0 110.495 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.09 66.2 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.35 0.406 . . . . 0.0 110.776 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.27 -42.45 99.35 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.42 -42.4 96.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.319 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -48.43 -43.1 33.97 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.145 0.278 . . . . 0.0 110.804 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -67.02 -35.64 80.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.272 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -83.27 -43.45 16.03 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -95.47 -12.53 25.7 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.23 70.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -104.89 140.01 20.66 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 117.195 0.497 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.29 130.62 41.14 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.269 1.979 . . . . 0.0 112.701 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.99 -36.62 96.19 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.443 2.095 . . . . 0.0 112.166 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.39 -34.34 76.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.485 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.29 3.25 47.49 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -109.17 126.92 53.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.948 0.404 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -123.66 124.66 43.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.128 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 69' ' ' LEU . 39.6 mt -106.31 134.65 49.12 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.334 0.396 . . . . 0.0 111.189 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 48' ' ' LYS . 76.1 mt -125.49 135.08 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.123 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -125.29 129.76 50.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.043 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.11 17.14 2.55 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.574 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.47 59.13 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 119.73 -0.484 . . . . 0.0 112.848 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 52.2 mtmt -109.77 145.85 35.97 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.576 0.688 . . . . 0.0 110.4 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.4 124.55 28.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.65 104.03 9.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.446 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -67.43 135.46 53.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.726 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.17 -35.68 73.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.242 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.15 6.25 50.96 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 123.386 0.428 . . . . 0.0 112.869 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -116.56 161.58 18.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.072 0.436 . . . . 0.0 110.638 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.3 p -106.34 162.5 13.63 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.179 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.95 -41.6 92.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.872 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -61.15 -37.56 83.31 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.268 0.355 . . . . 0.0 110.602 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.19 -16.28 59.64 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.887 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -103.4 12.51 35.22 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 57.45 45.27 20.0 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 110.823 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.91 119.47 46.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -94.47 -177.83 4.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.993 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.94 145.06 54.91 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.114 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 52.8 87.64 0.03 OUTLIER 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -141.06 155.33 46.17 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.75 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -104.17 120.17 40.55 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.675 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' ' 5' ' ' VAL . 63.9 mt -99.59 158.61 15.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.541 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -111.1 121.01 44.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.05 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 43' ' ' LEU . 17.6 tp -103.09 136.46 42.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.124 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.7 t -118.48 146.44 23.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 tp -102.74 130.15 49.6 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.66 -0.416 . . . . 0.0 109.987 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -99.65 5.53 45.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.71 -38.52 64.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.547 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -105.04 132.54 51.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.71 -29.13 11.31 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 CA-C-O 118.05 -1.417 . . . . 0.0 110.965 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 60.3 t -117.45 133.52 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . 0.454 HG22 ' N ' ' B' ' 201' ' ' LYS . 14.9 m -59.99 162.17 5.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . 0.454 ' N ' HG22 ' B' ' 200' ' ' THR . 98.2 mttt -139.6 156.07 47.08 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.623 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 8' ' ' LEU . 27.7 m -149.47 144.72 17.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.949 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.16 147.39 48.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 54.0 t -85.92 127.6 61.57 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -70.69 -16.22 33.63 Favored 'Trans proline' 0 N--CA 1.506 2.237 0 C-N-CA 121.759 1.639 . . . . 0.0 112.821 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 44.8 t -88.89 -50.13 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.927 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.429 ' SG ' HG23 ' B' ' 209' ' ' VAL . 8.1 p -124.02 -12.84 7.43 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.769 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.01 78.86 0.11 Allowed Glycine 0 C--N 1.332 0.307 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.429 HG23 ' SG ' ' B' ' 207' ' ' CYS . 79.8 t -137.42 139.48 43.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.431 ' C ' HG13 ' B' ' 211' ' ' ILE . 26.3 m120 -68.11 124.3 23.06 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.431 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.5 mt -152.31 140.86 13.75 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 123.532 0.52 . . . . 0.0 110.928 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.6 155.62 25.6 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.016 1.81 . . . . 0.0 110.686 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.92 -35.69 75.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.299 0.375 . . . . 0.0 110.906 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 76.3 p -70.1 -41.11 74.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.787 0.327 . . . . 0.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -72.98 -12.84 61.09 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.153 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 7.1 mm -65.63 -42.38 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 O-C-N 122.893 0.121 . . . . 0.0 110.861 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -58.3 -44.94 88.77 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.368 0.417 . . . . 0.0 110.157 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.84 -40.37 61.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.161 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -57.98 -44.0 86.87 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.602 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.0 -39.31 85.34 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.29 -35.43 78.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 55.1 p -80.06 -51.79 8.6 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.474 0.484 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.25 -43.33 70.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.606 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.68 -38.41 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.748 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.0 m -58.23 -36.73 73.61 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -56.07 -45.26 79.36 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.377 0.423 . . . . 0.0 109.998 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -50.46 -52.97 33.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.625 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -72.47 -27.21 62.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.28 -36.47 84.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.506 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.5 -73.72 0.11 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.18 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 40.55 85.54 0.02 OUTLIER 'General case' 0 C--O 1.238 0.48 0 O-C-N 123.518 0.511 . . . . 0.0 111.033 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 35.6 t -140.78 140.68 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.689 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.3 -44.65 78.7 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.86 132.83 37.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 92.4 p -161.67 157.77 24.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.044 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 27.1 m -132.15 116.18 16.68 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.288 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 61.5 t -131.44 134.04 61.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -110.95 94.4 4.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.246 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.98 -40.15 95.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.682 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttt85 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.247 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -87.49 120.21 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.297 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.2 pt -123.41 162.61 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.222 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.82 143.05 48.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' HB ' HG23 ' A' ' 13' ' ' ILE . 57.2 t -122.12 135.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -122.49 116.31 23.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.636 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.518 HG22 HD23 ' A' ' 69' ' ' LEU . 78.3 p -79.33 164.28 24.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.99 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.11 -23.99 67.53 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.522 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -75.55 -16.46 60.26 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -15.23 40.45 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 120.005 -0.331 . . . . 0.0 112.385 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.26 149.69 23.66 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 m -126.76 128.2 46.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.604 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG23 ' HB ' ' A' ' 5' ' ' VAL . 13.3 tt -129.79 130.29 66.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.809 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -94.37 123.33 37.71 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 tp -117.12 133.33 56.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.26 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.16 115.79 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.084 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.3 177.36 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.173 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.89 150.19 71.0 Favored Pre-proline 0 CA--C 1.538 0.518 0 O-C-N 123.264 0.352 . . . . 0.0 110.533 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.41 -31.09 76.19 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.288 1.992 . . . . 0.0 111.92 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -74.58 -21.09 59.67 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.478 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.15 141.0 52.7 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.19 0.306 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -84.71 159.44 20.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.568 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.06 -43.0 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.43 -32.06 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.291 0.369 . . . . 0.0 110.236 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.61 -39.19 70.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.573 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.21 -45.58 98.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.594 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.64 -49.73 72.09 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.372 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.73 63.59 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.75 -41.98 99.46 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.44 . . . . 0.0 109.879 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.54 -42.7 96.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.245 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -52.0 -38.12 55.67 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.237 0.336 . . . . 0.0 110.354 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.54 -34.2 77.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -94.09 -30.55 14.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.14 -14.72 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.97 18.79 71.11 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.2 mt -110.86 134.07 21.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 117.368 0.584 . . . . 0.0 110.85 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.94 146.14 81.27 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.201 1.934 . . . . 0.0 112.703 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.5 -31.32 87.63 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.367 2.045 . . . . 0.0 112.298 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.17 -39.74 93.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.216 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -80.62 -4.08 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -114.37 130.09 56.67 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.936 0.398 . . . . 0.0 111.299 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -124.98 131.18 53.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.279 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.07 133.87 51.75 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.352 0.408 . . . . 0.0 111.177 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.0 139.61 48.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.176 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 73.4 t80 -139.7 121.23 15.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.911 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 70.65 23.94 4.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.758 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.13 18.46 64.85 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-O 119.904 -0.386 . . . . 0.0 112.865 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -138.31 150.47 46.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 117.197 0.498 . . . . 0.0 110.648 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -73.06 159.75 33.12 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.947 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.59 120.56 42.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -69.89 120.7 16.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.413 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.09 -25.23 66.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.822 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.31 7.86 81.1 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 123.354 0.409 . . . . 0.0 112.982 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -116.09 175.82 5.37 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 117.083 0.442 . . . . 0.0 110.485 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.4 p -112.0 162.03 15.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.137 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.97 -41.0 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.363 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 m -57.62 -31.11 65.92 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.17 0.293 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -72.46 -7.38 49.54 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.149 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -109.11 11.07 25.86 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 m120 58.28 38.08 26.06 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.004 0.43 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -92.18 125.85 44.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -106.72 -172.36 2.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.81 133.83 55.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 56.52 91.69 0.03 OUTLIER 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.761 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.4 m -130.95 147.56 52.61 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.679 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -100.7 110.38 22.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 45' ' ' PHE . 59.9 mt -96.58 151.19 19.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.339 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.21 129.74 48.68 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.047 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 7' ' ' THR . 17.2 tp -109.6 134.92 51.36 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.07 151.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.94 124.97 51.53 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.31 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -94.0 90.99 6.66 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.857 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.7 tp -74.63 142.83 44.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.247 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.52 145.11 29.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.395 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.01 51.99 0.72 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.831 0 CA-C-O 117.944 -1.476 . . . . 0.0 110.94 -179.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.0 t -93.03 129.31 43.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.474 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 18.7 m -69.61 138.3 53.01 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.386 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -129.01 144.1 51.08 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.426 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.71 132.59 54.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -69.29 146.44 52.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.726 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.59 123.33 74.59 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.172 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -72.29 -13.98 28.25 Favored 'Trans proline' 0 N--CA 1.504 2.115 0 C-N-CA 122.017 1.812 . . . . 0.0 112.787 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.1 t -84.15 -52.69 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.016 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 13.0 p -119.42 -6.62 10.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.487 -1.233 . . . . 0.0 112.82 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 57.21 73.36 0.46 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 70.0 t -136.45 139.08 45.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.471 ' C ' HG13 ' B' ' 211' ' ' ILE . 15.1 t-20 -68.96 126.52 30.05 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.471 HG13 ' C ' ' B' ' 210' ' ' ASN . 71.0 mt -151.12 142.15 15.13 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 123.481 0.488 . . . . 0.0 110.98 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.16 159.51 30.13 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.111 1.874 . . . . 0.0 110.862 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.462 ' O ' HG22 ' B' ' 216' ' ' ILE . 71.4 tt0 -70.32 -28.59 65.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.382 0.426 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 5.4 m -83.49 11.98 6.25 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.253 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -133.69 -6.58 2.84 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.462 HG22 ' O ' ' B' ' 213' ' ' GLU . 7.9 tp -67.13 -38.81 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 O-C-N 123.013 0.196 . . . . 0.0 111.28 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -59.79 -50.34 74.19 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.387 0.429 . . . . 0.0 110.454 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -67.15 -43.13 83.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.46 ' CG ' HD13 ' B' ' 211' ' ' ILE . 83.7 t60 -57.73 -42.84 84.69 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.679 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.76 -38.24 87.26 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.197 0.311 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.79 -34.74 74.96 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.734 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 63.2 m -85.45 -44.5 12.68 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 2.3 t -60.12 -46.42 89.68 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.693 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.5 mt -65.46 -39.83 92.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 28.6 p -58.31 -35.45 71.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -58.99 -45.26 91.06 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -60.1 -32.69 71.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.299 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.14 -18.59 61.27 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.47 0.481 . . . . 0.0 111.348 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -72.94 -37.21 67.23 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.219 0.324 . . . . 0.0 110.831 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.54 -42.69 88.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 123.479 0.487 . . . . 0.0 110.769 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.76 122.32 15.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.649 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 33.7 p -153.21 153.22 32.29 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.927 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 73.8 mt -124.58 128.05 48.31 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.956 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.87 -41.52 97.73 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.538 0.524 . . . . 0.0 110.755 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 15.3 p -112.59 108.68 17.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 90.1 p -169.91 111.53 0.45 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . 0.481 HG11 ' OXT' ' B' ' 240' ' ' ARG . 15.0 p -129.69 137.14 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.063 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -66.9 -46.02 76.16 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.812 0.695 . . . . 0.0 110.817 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.85 141.83 38.83 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . 0.481 ' OXT' HG11 ' B' ' 237' ' ' VAL . 62.0 ttp180 . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.345 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptt? . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -80.76 122.88 27.7 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 124.046 0.841 . . . . 0.0 109.373 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -124.76 156.72 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.096 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -112.69 144.51 42.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 13' ' ' ILE . 59.5 t -126.84 135.45 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -127.41 121.13 30.08 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.041 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.3 p -80.18 167.81 19.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.939 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD13 HG21 ' B' ' 202' ' ' VAL . 77.8 mt -63.83 -23.35 67.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.427 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.5 p -75.31 -16.66 60.4 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.412 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.7 -13.28 42.36 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 119.871 -0.405 . . . . 0.0 112.453 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.47 152.13 18.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 117.162 0.481 . . . . 0.0 109.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -128.85 129.45 45.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.794 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' HB ' ' A' ' 5' ' ' VAL . 14.4 tt -131.38 134.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.491 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.5 m -97.55 122.0 40.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.62 137.62 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.091 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -103.29 115.63 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.473 HG11 HG13 ' A' ' 26' ' ' VAL . 30.7 m -138.64 159.56 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.143 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.25 148.88 37.46 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.535 0.522 . . . . 0.0 110.667 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 -31.43 66.74 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 122.223 1.949 . . . . 0.0 111.893 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 m -71.92 -25.11 61.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.781 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.2 139.67 57.41 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.142 0.277 . . . . 0.0 110.382 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 55' ' ' THR . 17.9 p -83.19 159.14 22.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.82 -42.92 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -59.52 -35.02 73.37 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.347 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.66 -40.42 80.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.546 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG13 HG11 ' A' ' 17' ' ' VAL . 92.1 t -61.78 -45.49 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.37 -45.94 76.52 Favored 'General case' 0 N--CA 1.462 0.127 0 O-C-N 123.444 0.465 . . . . 0.0 110.287 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.44 -41.6 63.41 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.318 0.386 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.09 -42.19 99.55 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.49 -42.97 98.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.667 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.53 -41.69 31.0 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.197 0.31 . . . . 0.0 110.59 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.02 -34.92 76.01 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.908 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -82.4 -44.43 16.11 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HG2' HD12 ' A' ' 36' ' ' ILE . 27.0 tp10 -96.52 -11.34 25.61 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.0 19.82 74.1 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.036 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 34' ' ' GLU . 64.8 mt -108.79 138.6 20.35 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 117.351 0.575 . . . . 0.0 110.763 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.48 144.32 94.52 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.148 1.899 . . . . 0.0 112.707 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -55.97 -37.85 95.48 Favored 'Trans proline' 0 N--CA 1.5 1.899 0 C-N-CA 122.47 2.114 . . . . 0.0 112.231 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.99 -34.63 77.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.443 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -81.62 -8.17 59.68 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 69' ' ' LEU . 88.9 mt-30 -117.71 130.43 56.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 111.549 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 69' ' ' LEU . 96.3 mtt180 -124.58 127.7 47.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.116 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' CD2' HD13 ' A' ' 69' ' ' LEU . 49.0 mt -100.86 136.24 41.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 111.406 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.525 HD11 HD22 ' B' ' 220' ' ' LEU . 86.7 mt -125.3 138.14 55.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.413 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HD1' HD23 ' A' ' 67' ' ' LEU . 63.3 t80 -128.56 128.55 44.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.346 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.94 18.3 1.61 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.856 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.54 1.79 57.69 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.699 -0.501 . . . . 0.0 113.129 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -109.63 142.85 40.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.513 0.656 . . . . 0.0 110.516 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.74 118.33 21.45 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.237 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 45' ' ' PHE . 79.1 mt -70.05 105.29 2.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.684 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -65.7 134.75 53.88 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.485 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.48 -37.99 76.68 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.355 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.89 7.61 49.6 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 123.363 0.414 . . . . 0.0 112.541 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -113.7 156.41 23.81 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 117.168 0.484 . . . . 0.0 110.696 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 22' ' ' THR . 82.8 p -100.26 161.75 13.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.931 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.08 -41.97 98.72 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.251 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.5 p -60.47 -32.63 71.59 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.263 0.352 . . . . 0.0 110.612 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.88 -13.97 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.719 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -105.29 9.15 34.0 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.9 m120 57.55 54.56 6.34 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.409 0.623 . . . . 0.0 110.7 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.3 mt -106.2 120.92 57.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -98.66 -175.09 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.24 140.1 58.13 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 55.44 81.88 0.11 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -129.66 150.64 50.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.538 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.3 m -103.08 114.78 29.35 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.396 0.435 . . . . 0.0 110.91 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD23 ' HD1' ' A' ' 45' ' ' PHE . 50.3 mt -105.46 132.72 51.28 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.049 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -92.46 128.42 38.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.138 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 41' ' ' GLN . 22.4 tp -107.02 138.13 43.78 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -114.06 149.31 16.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.08 128.12 54.09 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -100.93 86.65 3.11 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.846 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.16 151.05 38.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -94.84 129.25 41.9 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.182 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.87 -55.74 29.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.734 0 CA-C-O 117.927 -1.485 . . . . 0.0 110.836 179.827 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 49.2 t -106.24 127.92 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 25.6 m -128.91 146.41 50.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -127.08 148.31 50.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 8' ' ' LEU . 28.8 m -152.29 146.77 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.016 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.63 149.66 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.093 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.2 t -84.46 122.68 75.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.57 -15.65 41.66 Favored 'Trans proline' 0 N--CA 1.506 2.229 0 C-N-CA 121.954 1.77 . . . . 0.0 112.838 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.74 -55.29 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.218 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . . . . . . . . . 14.3 p -114.85 -7.17 12.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.629 -1.168 . . . . 0.0 112.889 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.72 1.54 Allowed Glycine 0 C--N 1.336 0.565 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 76.1 t -135.04 137.72 50.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.432 ' C ' HG13 ' B' ' 211' ' ' ILE . 27.3 t-20 -69.19 125.69 27.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' B' ' 219' ' ' HIS . 69.6 mt -152.58 139.76 12.78 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 123.441 0.463 . . . . 0.0 110.846 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -54.88 152.76 27.65 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.015 1.81 . . . . 0.0 110.608 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -58.04 -39.67 78.97 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.275 0.359 . . . . 0.0 111.063 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 77.3 p -69.77 -37.86 76.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.307 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -72.59 -13.35 61.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.132 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . . . . . . . . . 8.6 mm -66.4 -43.01 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 119.786 -0.15 . . . . 0.0 110.763 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -56.45 -50.13 72.57 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.42 0.45 . . . . 0.0 110.448 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.05 -42.41 76.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.112 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . 0.443 ' CG ' HD13 ' B' ' 211' ' ' ILE . 80.7 t60 -59.15 -35.97 74.44 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.931 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.525 HD22 HD11 ' A' ' 44' ' ' ILE . 30.4 mt -60.88 -38.68 86.5 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.152 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.03 -34.7 78.6 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.934 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 86.1 p -79.88 -41.53 26.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.7 -45.21 83.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.94 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.96 -39.2 93.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 43.9 m -58.15 -36.67 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -58.61 -49.55 77.09 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -55.03 -31.87 61.42 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.656 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -79.28 -18.7 52.18 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -79.54 -44.1 21.79 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 110.808 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . 0.516 ' HA ' HD11 ' B' ' 233' ' ' LEU . 44.1 tptt -62.15 -39.14 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.857 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -54.19 130.76 39.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 13.1 t 54.42 88.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 230' ' ' LYS . 16.2 mt -119.83 21.42 11.95 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.553 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -62.4 -44.69 95.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.274 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 1.6 t -146.98 -41.48 0.19 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.426 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 30.1 t -59.03 134.39 56.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 10.9 p -141.15 141.75 30.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.295 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -113.19 111.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.327 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -63.45 -42.53 98.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.603 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -73.98 126.07 29.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -122.37 162.65 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.323 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' HG23 ' A' ' 14' ' ' THR . 86.3 m-85 -121.8 141.52 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' HB ' HG23 ' A' ' 13' ' ' ILE . 48.9 t -121.56 133.05 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -124.49 122.66 38.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.608 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.558 HG22 HD23 ' A' ' 69' ' ' LEU . 64.8 p -79.77 163.58 24.34 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.912 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD11 HG22 ' A' ' 70' ' ' VAL . 81.9 mt -64.54 -22.99 67.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.532 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.5 p -77.02 -18.47 58.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.306 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.53 -8.72 26.26 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 119.898 -0.39 . . . . 0.0 112.363 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.26 150.52 34.47 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.172 0.486 . . . . 0.0 109.804 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -132.29 130.0 40.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' HD3' ' A' ' 33' ' ' LYS . 14.3 tt -134.22 131.72 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.712 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.451 HG23 ' CE2' ' A' ' 4' ' ' PHE . 24.8 m -94.95 124.15 38.83 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.8 tp -122.04 138.14 54.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.343 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -102.07 119.99 39.69 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.994 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.88 -168.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.278 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.43 149.01 68.35 Favored Pre-proline 0 CA--C 1.536 0.435 0 O-C-N 123.301 0.376 . . . . 0.0 110.624 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.28 -21.11 72.12 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 122.217 1.945 . . . . 0.0 111.998 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -84.9 -16.4 41.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.48 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -75.09 147.36 40.66 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.192 0.307 . . . . 0.0 110.508 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 p -85.7 155.78 20.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG22 ' HE2' ' A' ' 27' ' ' LYS . 43.8 mm -59.82 -43.51 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.854 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.37 -37.04 67.0 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.348 0.405 . . . . 0.0 110.397 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -67.78 -40.59 83.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.481 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.01 -46.14 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.537 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HE2' HG22 ' A' ' 23' ' ' ILE . 68.6 mttm -56.83 -45.85 82.05 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.393 0.433 . . . . 0.0 110.166 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.77 -41.91 64.51 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.302 0.376 . . . . 0.0 110.818 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.09 -42.11 98.88 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.88 -42.4 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.473 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -47.96 -42.78 28.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.04 -35.46 78.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.077 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HD3' HD11 ' A' ' 13' ' ' ILE . 68.4 mttm -80.55 -43.87 19.98 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -98.43 -9.51 25.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.14 22.78 74.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -112.78 132.94 22.05 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 117.273 0.537 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.8 148.21 67.69 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.202 1.935 . . . . 0.0 112.775 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.9 -32.59 76.91 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.4 2.067 . . . . 0.0 112.243 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -65.02 -35.62 81.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.558 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -82.96 0.23 45.53 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HB3' HD11 ' A' ' 69' ' ' LEU . 88.5 mt-30 -120.63 131.1 54.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 111.312 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -123.55 124.57 43.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.018 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 69' ' ' LEU . 64.4 mt -102.2 132.43 48.13 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.269 0.356 . . . . 0.0 111.322 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 HD22 ' B' ' 220' ' ' LEU . 84.8 mt -124.53 135.22 64.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.118 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -126.62 132.36 51.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.161 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.04 2.87 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.574 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.48 14.91 64.97 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 119.918 -0.379 . . . . 0.0 112.919 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' ILE . 48.7 mtmt -121.28 144.6 48.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.243 0.521 . . . . 0.0 110.54 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -79.72 124.82 28.93 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.509 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.06 105.34 12.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.358 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -67.65 136.27 54.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.768 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.74 -38.9 86.72 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.442 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 4.6 54.65 Favored Glycine 0 CA--C 1.533 1.205 0 O-C-N 123.482 0.489 . . . . 0.0 112.727 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -112.9 158.58 20.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 117.093 0.447 . . . . 0.0 110.517 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -102.29 160.32 14.63 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.21 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.87 -41.2 95.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.3 p -60.83 -32.0 71.39 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.211 0.319 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.32 -17.35 63.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.822 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -102.2 11.18 38.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 57.79 52.63 7.86 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.321 0.581 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -107.66 125.95 64.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -103.54 -174.5 2.56 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.638 0.586 . . . . 0.0 110.99 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.11 144.22 55.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 55.45 87.27 0.05 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.8 t -139.33 151.87 46.74 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.672 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.0 m -103.0 117.85 35.5 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.263 0.352 . . . . 0.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.7 mt -102.01 145.11 29.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.344 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -96.7 121.99 39.15 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.359 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 HG22 ' A' ' 7' ' ' THR . 15.5 tp -101.53 134.59 44.4 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG22 HD11 ' A' ' 8' ' ' LEU . 52.3 t -127.3 149.42 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.0 tp -106.09 130.2 54.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -102.95 90.35 3.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.11 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 148.5 42.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.232 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -77.67 147.36 35.55 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.168 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.81 173.23 16.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 118.058 -1.412 . . . . 0.0 110.864 -179.766 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.14 139.93 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.865 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 21.9 p -76.72 165.54 24.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.027 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -133.01 148.22 52.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.527 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.618 HG23 HD13 ' B' ' 216' ' ' ILE . 27.2 m -139.18 135.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.203 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -70.42 150.61 46.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.892 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.5 t -91.1 124.5 61.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.208 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -74.63 -10.26 21.75 Favored 'Trans proline' 0 N--CA 1.507 2.296 0 C-N-CA 121.999 1.799 . . . . 0.0 112.715 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 38.0 t -89.37 -49.3 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.652 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.442 ' SG ' HG23 ' B' ' 209' ' ' VAL . 11.4 p -123.77 -13.97 7.32 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.726 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 61.57 75.97 0.27 Allowed Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.442 HG23 ' SG ' ' B' ' 207' ' ' CYS . 74.6 t -136.34 138.93 46.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.412 ' C ' HG13 ' B' ' 211' ' ' ILE . 5.5 m120 -68.38 124.62 24.02 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.412 HG13 ' C ' ' B' ' 210' ' ' ASN . 56.8 mt -151.23 141.67 14.72 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.777 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -55.95 156.08 20.98 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.03 1.82 . . . . 0.0 110.793 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.617 ' O ' HG22 ' B' ' 216' ' ' ILE . 78.0 tt0 -65.98 -17.0 64.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.399 0.437 . . . . 0.0 111.264 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 29.3 m -86.52 -43.66 12.56 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.277 0.36 . . . . 0.0 111.238 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -75.64 -6.5 50.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.618 HD13 HG23 ' B' ' 202' ' ' VAL . 9.1 tp -65.67 -39.12 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 O-C-N 123.194 0.309 . . . . 0.0 111.124 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -60.62 -53.31 58.96 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.441 0.463 . . . . 0.0 110.364 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.62 -43.25 94.35 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.98 -40.75 77.12 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.257 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.487 HD22 HD11 ' A' ' 44' ' ' ILE . 35.0 mt -62.58 -37.57 86.73 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.57 -36.67 84.56 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 78.8 p -78.64 -52.92 7.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.12 -43.02 70.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.764 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.0 mt -71.12 -34.26 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.628 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 43.6 t -58.83 -41.71 87.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.623 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -57.3 -42.5 81.88 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.77 -38.16 81.05 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.931 0.769 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -66.88 -21.24 66.01 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.496 0.498 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -82.55 -37.47 25.09 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 123.164 0.29 . . . . 0.0 110.852 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.65 -41.35 90.36 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -58.99 -67.5 0.36 Allowed 'General case' 0 C--O 1.232 0.184 0 O-C-N 123.155 0.284 . . . . 0.0 110.546 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 42.4 t -56.8 143.87 35.25 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.529 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 78.5 mt 55.14 97.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.675 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -60.91 137.5 58.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.746 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 37.8 m -100.8 164.08 12.02 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.014 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 22.8 p -69.24 159.76 32.44 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.163 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.09 134.8 29.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.88 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -122.07 137.23 54.89 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.425 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -109.28 143.78 38.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.222 -0.344 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.399 179.825 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.55 116.65 20.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.119 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.463 HD13 HG21 ' A' ' 17' ' ' VAL . 42.1 pt -121.21 145.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CE2' HG23 ' A' ' 14' ' ' THR . 65.4 m-85 -105.61 144.18 32.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.592 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.9 133.78 66.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -119.37 116.52 26.35 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.837 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 69' ' ' LEU . 82.0 p -79.45 164.35 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.751 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD11 HG22 ' A' ' 70' ' ' VAL . 79.6 mt -66.55 -25.13 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.356 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -75.46 -14.8 60.46 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.521 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.18 -9.38 42.59 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.955 -0.358 . . . . 0.0 112.426 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.03 152.85 39.13 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 117.129 0.464 . . . . 0.0 109.772 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -130.79 132.21 45.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.33 137.08 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.851 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' CE2' ' A' ' 4' ' ' PHE . 19.9 m -98.93 123.67 43.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 tp -123.15 143.92 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.269 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -106.61 125.34 50.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.934 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG21 HD13 ' A' ' 3' ' ' ILE . 30.4 m -139.1 169.11 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.277 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -117.87 147.99 42.36 Favored Pre-proline 0 CA--C 1.537 0.461 0 O-C-N 123.371 0.419 . . . . 0.0 110.578 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.95 -28.23 76.95 Favored 'Trans proline' 0 N--CA 1.503 2.07 0 C-N-CA 122.196 1.931 . . . . 0.0 111.927 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -84.71 -13.79 50.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.566 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.93 140.84 44.01 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.232 0.332 . . . . 0.0 110.311 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.0 p -84.59 159.08 20.7 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.452 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -61.46 -42.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.702 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.367 0.417 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.02 -40.14 75.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.5 -44.78 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.47 -39.58 67.61 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.306 0.379 . . . . 0.0 110.771 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.59 -42.12 99.37 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.99 -43.34 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.52 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -48.57 -41.11 29.57 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.352 0.407 . . . . 0.0 110.746 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.68 -36.54 80.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.86 -41.84 18.5 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -97.05 -10.89 25.2 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 21.11 71.61 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.01 135.51 20.84 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 117.258 0.529 . . . . 0.0 110.978 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.36 146.45 61.81 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.122 1.881 . . . . 0.0 112.754 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.2 -32.63 62.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.328 2.019 . . . . 0.0 112.362 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.26 -35.94 82.58 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.434 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' A' ' 71' ' ' LEU . 41.2 tt0 -79.84 -1.84 40.76 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 69' ' ' LEU . 97.0 mt-30 -116.66 128.59 55.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 111.418 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -121.04 117.1 26.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.905 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 mt -92.87 139.24 30.75 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.325 0.391 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.9 mt -130.39 140.63 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.417 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 65.4 t80 -143.02 119.79 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.21 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 70.73 31.47 2.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.834 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.31 11.93 84.83 Favored Glycine 0 CA--C 1.537 1.442 0 CA-C-O 119.844 -0.42 . . . . 0.0 112.926 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -133.83 148.42 51.31 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.303 0.552 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.93 147.77 36.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.15 119.44 32.36 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.104 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -69.87 126.92 31.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.57 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -60.69 -36.2 78.19 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.477 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.79 6.75 60.99 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 123.484 0.49 . . . . 0.0 112.694 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -114.37 161.59 17.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 117.035 0.418 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.2 p -101.41 161.53 13.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.107 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.8 -41.65 96.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.173 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m -58.88 -36.64 74.99 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.276 0.36 . . . . 0.0 110.682 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.83 -16.04 63.46 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.842 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -103.96 8.91 36.82 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 55.38 53.09 10.34 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.248 0.547 . . . . 0.0 110.651 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.63 120.43 55.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -96.71 -174.94 3.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.085 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.97 147.34 43.12 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 60.44 55.12 3.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.988 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.6 m -109.95 144.81 37.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.671 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.8 m -103.54 119.96 39.93 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.372 0.42 . . . . 0.0 110.749 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 45' ' ' PHE . 52.7 mt -101.22 169.27 9.02 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.342 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -119.92 132.71 55.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.193 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 7' ' ' THR . 16.0 tp -110.82 133.29 53.48 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.145 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 8' ' ' LEU . 48.7 t -125.1 151.3 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD21 ' NE2' ' A' ' 40' ' ' GLN . 13.9 tp -113.17 126.73 55.76 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.235 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -102.25 91.8 4.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.0 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.32 148.19 50.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.33 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.39 -42.58 74.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.69 -67.15 0.82 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.862 -179.781 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.42 131.28 69.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 72.0 p -101.32 166.8 10.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -133.6 148.97 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.554 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.509 HG23 HD13 ' B' ' 216' ' ' ILE . 29.0 m -140.46 136.49 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.324 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.68 149.82 46.59 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.86 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 50.3 t -88.4 123.83 67.47 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.376 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -73.0 -12.57 26.03 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 C-N-CA 121.917 1.745 . . . . 0.0 112.712 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.93 -49.05 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.734 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' B' ' 209' ' ' VAL . 8.0 p -126.61 -13.78 5.88 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.733 -175.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 60.04 81.0 0.08 OUTLIER Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.47 HG23 ' SG ' ' B' ' 207' ' ' CYS . 54.5 t -136.26 140.71 43.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.405 ' C ' HG13 ' B' ' 211' ' ' ILE . 4.6 t-20 -67.53 118.35 10.72 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.405 HG13 ' C ' ' B' ' 210' ' ' ASN . 55.4 mt -149.22 141.52 15.17 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.659 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.74 155.83 25.43 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.07 1.846 . . . . 0.0 110.861 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.632 ' O ' HG22 ' B' ' 216' ' ' ILE . 69.8 tt0 -68.29 -16.44 63.96 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.285 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 78.0 p -86.02 -43.69 12.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -78.93 -7.48 58.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.862 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.632 HG22 ' O ' ' B' ' 213' ' ' GLU . 8.9 tp -63.75 -38.05 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 123.089 0.243 . . . . 0.0 111.136 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.58 -48.7 80.6 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.548 0.53 . . . . 0.0 110.311 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.36 -43.92 84.65 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.844 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -57.73 -43.81 85.59 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.687 0.617 . . . . 0.0 110.674 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.09 -38.28 88.27 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.29 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.0 73.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 57.8 m -84.77 -44.93 12.87 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.231 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 1.6 t -60.05 -41.24 91.88 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.015 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.06 -40.55 96.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.529 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 47.7 m -62.53 -34.87 77.76 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.434 0.459 . . . . 0.0 110.74 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.3 -48.26 74.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.056 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -58.94 -40.62 85.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.677 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.83 -21.16 62.48 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.598 0.561 . . . . 0.0 111.21 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.6 -42.34 22.42 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 123.098 0.249 . . . . 0.0 110.867 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.93 -43.72 98.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -56.67 -63.27 1.25 Allowed 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.229 0.33 . . . . 0.0 110.721 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 89.0 p -78.85 171.56 15.01 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.755 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 7.9 tt -145.74 129.24 16.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -110.58 131.08 55.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 77.4 p -68.59 -37.24 79.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 33.8 t -137.6 150.25 47.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.27 135.69 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.843 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -113.84 151.43 32.13 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.418 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.66 -41.4 99.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.274 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -87.08 122.49 30.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.294 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -125.48 164.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.078 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -120.83 143.04 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.527 0.517 . . . . 0.0 109.68 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.75 134.62 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -125.12 119.82 29.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.673 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.5 p -79.71 165.69 22.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.893 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD11 HG22 ' A' ' 70' ' ' VAL . 71.2 mt -65.12 -22.81 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 p -76.43 -19.56 57.95 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.473 0.483 . . . . 0.0 111.631 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 -9.74 28.41 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.833 -0.426 . . . . 0.0 112.418 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.2 150.19 35.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.126 0.463 . . . . 0.0 109.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -130.41 129.37 42.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.78 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 tt -133.0 133.83 58.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -96.52 121.68 38.6 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 tp -116.89 133.39 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.365 -177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -96.47 116.93 29.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.131 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.34 -174.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.149 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.36 153.32 74.58 Favored Pre-proline 0 CA--C 1.538 0.505 0 O-C-N 123.245 0.34 . . . . 0.0 110.589 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.35 -32.03 79.67 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 C-N-CA 122.224 1.95 . . . . 0.0 111.938 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -72.68 -26.74 61.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.562 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.4 139.19 58.52 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.717 0.294 . . . . 0.0 110.376 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 55' ' ' THR . 75.5 p -84.58 158.19 20.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.509 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.08 -42.52 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.601 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -60.72 -34.55 74.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.766 0.317 . . . . 0.0 110.354 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.18 -39.71 86.45 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.512 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 95.9 t -61.82 -44.38 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.585 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.26 -47.93 74.73 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.274 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.69 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.262 0.351 . . . . 0.0 110.678 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -41.69 99.51 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.456 HG21 ' OE1' ' A' ' 41' ' ' GLN . 91.2 mt -63.71 -42.56 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.558 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -50.47 -41.4 53.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.0 -37.08 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -80.04 -44.68 19.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -98.2 -6.91 30.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.99 22.26 68.53 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.9 mt -109.02 134.11 20.5 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 117.294 0.547 . . . . 0.0 110.801 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -55.97 146.56 68.14 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.796 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.23 -30.19 54.91 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 122.271 1.981 . . . . 0.0 112.404 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.27 -34.66 78.88 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.403 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.98 -6.03 59.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.887 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' OE1' HG21 ' A' ' 30' ' ' ILE . 73.5 mt-30 -109.54 126.35 53.47 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -121.79 118.98 30.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.889 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -96.1 136.62 36.32 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.402 0.439 . . . . 0.0 111.48 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.458 HD11 HD22 ' B' ' 220' ' ' LEU . 94.0 mt -127.88 140.19 49.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.102 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 72.1 t80 -142.07 120.86 12.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 70.15 28.83 3.9 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.78 10.98 83.46 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-O 119.844 -0.42 . . . . 0.0 113.001 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -134.54 148.81 50.57 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.197 0.499 . . . . 0.0 110.474 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -77.39 150.09 35.12 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.2 127.48 36.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.218 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -75.13 125.67 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.743 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.03 -36.57 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.549 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.72 10.69 50.28 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 123.566 0.541 . . . . 0.0 112.845 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -118.29 165.81 13.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 117.086 0.443 . . . . 0.0 110.669 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 22' ' ' THR . 73.9 p -106.76 162.62 13.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.87 -41.63 98.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.005 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -59.11 -33.02 70.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.862 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.59 -15.37 63.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.655 0.597 . . . . 0.0 111.769 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -104.53 12.75 32.81 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 56.72 40.36 29.21 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.074 0.464 . . . . 0.0 110.752 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.5 mt -93.76 122.14 44.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -97.47 -177.08 3.69 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.097 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -65.81 142.49 57.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 55.5 75.87 0.3 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -121.04 150.05 41.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.615 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -102.14 112.58 25.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.49 145.01 27.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -97.08 123.52 40.85 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 tp -103.77 134.15 47.56 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.22 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 HD11 ' A' ' 8' ' ' LEU . 42.8 t -124.73 150.08 29.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -114.84 125.13 53.32 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.26 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -98.57 92.1 5.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.107 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -72.13 150.5 43.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -75.86 138.81 41.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.494 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.11 48.32 4.4 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.985 -1.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' VAL . . . . . . . . . . . . . 51.8 t -98.84 126.09 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 8.0 m -73.33 143.61 46.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.442 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -131.6 146.73 52.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' VAL . . . . . 0.438 HG23 HD13 ' B' ' 216' ' ' ILE . 26.8 m -142.01 137.96 30.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.105 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.04 153.18 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' CYS . . . . . . . . . . . . . 42.0 t -87.23 121.18 71.5 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.309 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -68.06 -16.0 44.15 Favored 'Trans proline' 0 N--CA 1.509 2.428 0 C-N-CA 122.489 2.126 . . . . 0.0 112.829 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.12 -52.23 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.24 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' B' ' 209' ' ' VAL . 10.3 p -121.43 -12.45 8.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.677 -175.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 62.04 78.34 0.17 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' VAL . . . . . 0.455 HG23 ' SG ' ' B' ' 207' ' ' CYS . 59.5 t -136.39 139.43 45.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' ASN . . . . . 0.43 ' C ' HG13 ' B' ' 211' ' ' ILE . 6.3 t-20 -68.71 121.36 16.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ILE . . . . . 0.43 HG13 ' C ' ' B' ' 210' ' ' ASN . 68.3 mt -150.97 139.59 13.06 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -54.37 159.32 8.38 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.877 1.718 . . . . 0.0 111.067 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.706 ' O ' HG22 ' B' ' 216' ' ' ILE . 4.8 tp10 -64.24 -34.71 78.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 62.0 p -75.42 -41.73 55.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -72.23 -19.78 61.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.007 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' ILE . . . . . 0.706 HG22 ' O ' ' B' ' 213' ' ' GLU . 6.0 tp -61.62 -31.99 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 123.249 0.343 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.05 -49.15 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.502 0.501 . . . . 0.0 110.107 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.5 -44.35 78.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.145 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -58.76 -39.33 80.66 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.672 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 44' ' ' ILE . 27.1 mt -60.09 -40.43 89.6 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.187 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 221' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.32 -34.92 77.55 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.537 0.523 . . . . 0.0 110.617 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . . . . . . . . . 3.6 t -76.31 -46.95 25.37 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 223' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -43.5 92.67 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.918 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.29 -38.57 91.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.742 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 37.1 m -57.55 -33.38 68.06 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.502 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -56.21 -46.39 79.49 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 227' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -66.8 -36.8 83.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.888 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.74 -28.73 67.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 123.572 0.545 . . . . 0.0 111.004 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.49 -47.31 56.27 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.325 0.391 . . . . 0.0 111.025 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.55 -68.45 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.651 0.594 . . . . 0.0 110.853 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 231' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 41.42 43.7 2.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.902 0.858 . . . . 0.0 110.717 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 232' ' ' SER . . . . . . . . . . . . . 21.4 p -168.54 -34.84 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.035 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 65.4 mt -101.03 119.97 39.52 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.637 0.585 . . . . 0.0 109.886 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -142.78 -64.73 0.4 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 235' ' ' SER . . . . . . . . . . . . . 78.5 p -73.48 -36.7 65.86 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.36 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 236' ' ' SER . . . . . . . . . . . . . 23.3 p -105.28 50.38 0.78 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.059 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.67 -34.65 63.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.952 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 238' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -135.89 143.18 44.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.261 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 239' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -81.11 132.35 35.35 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.702 0.626 . . . . 0.0 110.582 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.26 179.649 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_