data_5urn_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 5urn _Structure_validation_residue.Date_analyzed 2017-03-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.988 0.423 . . . . 50.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.51 -119.33 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.175 -0.921 . . . . 75.0 111.957 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.14 123.63 10.37 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.751 0.42 . . . . 25.0 110.321 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 16' ' ' ILE . . . -141.0 152.87 45.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.529 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 86.8 mt -112.63 138.24 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.736 -0.665 . . . . 75.0 109.27 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -140.91 121.73 14.42 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.912 -0.586 . . . . 75.0 109.636 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 61.12 39.47 16.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.714 0.806 . . . . 75.0 112.06 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.61 -6.35 1.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.581 1.152 . . . . 75.0 113.767 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.53 120.86 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -81.96 137.0 35.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.513 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.65 -158.89 8.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.081 -0.963 . . . . 75.0 112.873 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.73 138.71 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.402 -0.592 . . . . 75.0 109.402 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 140.04 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.545 -178.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.0 140.91 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.469 0.481 . . . . 25.0 111.129 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.27 140.26 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.427 0.632 . . . . 75.0 109.964 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.5 t30 -110.88 100.2 8.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.425 -1.261 . . . . 50.0 110.54 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -122.56 167.36 13.48 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.582 -0.525 . . . . 75.0 109.582 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.16 2.5 4.34 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.932 0.893 . . . . 50.0 110.594 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.72 -173.45 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.785 -1.098 . . . . 50.0 110.517 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.47 159.91 82.41 Favored Pre-proline 0 N--CA 1.471 0.601 0 N-CA-C 105.319 -2.104 . . . . 50.0 105.319 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.88 130.07 4.17 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.425 1.902 . . . . 50.0 113.502 -140.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.02 132.25 15.42 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.975 -1.466 . . . . 25.0 112.79 -167.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -128.79 141.84 51.18 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.016 -0.993 . . . . 75.0 113.093 -173.058 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 47.8 tp -96.72 105.12 17.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.497 -1.297 . . . . 75.0 107.497 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -104.87 107.99 19.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.373 -1.285 . . . . 25.0 111.187 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -85.3 131.94 34.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.518 -0.765 . . . . 50.0 109.445 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -126.18 157.25 38.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 75.0 109.604 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.708 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 79.7 p -67.93 167.92 12.76 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.2 -0.429 . . . . 50.0 109.971 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.45 -30.08 51.66 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -98.69 -31.65 11.8 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.219 -0.446 . . . . 50.0 109.954 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.708 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . 103.99 17.96 15.0 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 115.596 -0.729 . . . . 75.0 113.898 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.5 p-10 -69.08 -28.92 66.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.602 0.361 . . . . 50.0 111.517 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 3.7 mttp -107.12 138.49 43.19 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.129 -0.693 . . . . 75.0 109.129 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.18 132.5 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 120.955 0.407 . . . . 50.0 111.788 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -124.89 144.26 50.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.449 -0.796 . . . . 50.0 109.216 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -128.92 129.18 45.15 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.5 t -114.73 107.68 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.592 -0.731 . . . . 50.0 110.507 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.41 118.62 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.57 -0.9 . . . . 50.0 108.57 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.52 -17.63 59.16 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.311 0.856 . . . . 75.0 113.311 -171.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -70.37 -4.05 20.44 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.114 0.483 . . . . 50.0 110.413 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.79 -0.24 12.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.048 -0.978 . . . . 25.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.0 mm -103.29 141.57 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.433 0.693 . . . . 75.0 109.758 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -108.84 -42.54 4.45 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 50.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.609 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 96.7 mttt -133.5 171.87 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.46 129.65 12.75 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 115.434 -0.803 . . . . 50.0 109.141 177.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -127.67 125.29 39.82 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.691 0.223 . . . . 75.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.52 151.9 35.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.177 0.436 . . . . 50.0 112.177 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.663 HG21 ' HA ' ' A' ' 58' ' ' MET . 9.2 t -67.75 120.57 74.54 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 122.987 0.515 . . . . 75.0 111.357 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.4 164.03 7.61 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.648 2.232 . . . . 75.0 113.176 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.25 -7.66 53.49 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.782 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -93.81 -18.06 22.43 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.772 -0.649 . . . . 50.0 110.922 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -73.54 139.5 45.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.733 -0.667 . . . . 50.0 112.223 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.19 -14.46 60.67 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.108 -0.951 . . . . 50.0 111.981 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' HG21 ' A' ' 51' ' ' THR . 73.8 mmtt -97.58 150.74 20.8 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.699 -1.137 . . . . 50.0 113.114 -170.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.663 ' HA ' HG21 ' A' ' 51' ' ' THR . 66.4 mtm -120.64 97.85 5.75 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.085 -0.961 . . . . 75.0 109.102 168.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.566 ' H ' ' CG2' ' A' ' 51' ' ' THR . 10.0 ptp -157.6 160.66 38.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.876 -0.602 . . . . 75.0 111.603 -174.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.1 tp -142.17 119.53 11.57 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.511 -0.768 . . . . 50.0 109.426 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -99.91 145.78 27.41 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.829 0.347 . . . . 75.0 111.138 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -127.86 114.1 16.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.598 -0.728 . . . . 50.0 109.86 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 6.1 mt -93.62 125.27 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.853 -0.612 . . . . 50.0 110.117 -170.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.65 166.33 41.35 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.542 -0.754 . . . . 50.0 113.472 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.236 0.353 0 N-CA-C 112.532 0.567 . . . . 75.0 112.532 -178.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.73 0.641 . . . . 75.0 112.73 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.6 p -79.16 -1.81 37.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.712 0.291 . . . . 50.0 111.729 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -97.19 34.51 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.784 -0.644 . . . . 75.0 110.874 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -46.02 121.79 3.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.159 0.984 . . . . 75.0 112.425 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -102.61 152.14 21.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.541 -0.754 . . . . 75.0 109.891 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.28 147.9 50.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.316 -0.402 . . . . 75.0 110.368 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.439 ' OD2' ' HB2' ' A' ' 78' ' ' ASN . 10.7 p30 -83.72 -175.72 5.95 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.518 -0.765 . . . . 75.0 111.294 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.38 -32.42 64.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.458 0.91 . . . . 75.0 113.458 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.27 -11.91 36.72 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.755 0.28 . . . . 50.0 111.755 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.17 8.5 Favored Glycine 0 C--N 1.34 0.784 0 CA-C-N 116.243 -0.435 . . . . 50.0 112.8 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' HB2' ' OD2' ' A' ' 74' ' ' ASP . 72.7 m-20 -88.27 140.25 29.67 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.6 0.36 . . . . 75.0 110.41 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.8 tt0 -72.88 114.56 11.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.149 -0.478 . . . . 50.0 110.991 -175.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.2 100.63 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 115.307 -0.861 . . . . 50.0 109.039 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.6 t -98.05 127.04 38.1 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.137 -0.938 . . . . 50.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.45 128.68 20.76 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.0 112.696 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.541 0.605 0 CA-C-N 115.23 -0.895 . . . . 75.0 112.52 -173.478 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.533 0.206 . . . . 75.0 110.829 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 94.8 mtp -96.61 147.06 24.27 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.678 0.275 . . . . 75.0 111.186 -176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -137.66 126.62 24.17 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.842 -0.617 . . . . 50.0 109.692 174.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.529 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -83.87 144.58 29.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.972 0.415 . . . . 75.0 111.299 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.32 176.1 8.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.39 -0.823 . . . . 50.0 111.786 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -122.13 -15.59 7.7 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.63 -0.714 . . . . 75.0 111.517 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -142.36 143.6 32.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.85 0.46 . . . . 75.0 111.106 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 94' ' ' ARG . 30.2 mmt-85 -79.5 -18.39 52.08 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.87 -0.604 . . . . 75.0 112.251 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.9 -19.34 57.54 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.378 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.75 -62.21 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.27 -0.641 . . . . 50.0 109.27 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptp -46.14 -39.84 10.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 112.908 0.707 . . . . 50.0 112.908 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.4 -25.06 62.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.785 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.15 -32.84 19.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.003 0.521 . . . . 75.0 111.954 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.08 -53.5 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -54.21 -41.43 68.63 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.999 0.92 . . . . 75.0 112.156 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -53.0 58.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.105 0.562 . . . . 75.0 111.411 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -60.96 -56.95 15.03 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.278 0.361 . . . . 25.0 110.17 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 27' ' ' LEU . 98.7 mt -43.66 -58.56 2.61 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.944 0.898 . . . . 50.0 110.8 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -50.38 -31.57 15.13 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.475 0.917 . . . . 75.0 113.475 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -84.01 -20.32 32.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.139 -0.482 . . . . 75.0 110.974 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.73 -44.83 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.392 0.677 . . . . 75.0 111.471 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.3 -33.09 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.2 0.2 . . . . 50.0 110.893 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.6 p -65.35 -19.12 65.81 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.754 0.659 . . . . 50.0 111.767 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.84 -41.14 30.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.624 0.37 . . . . 50.0 110.71 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -83.87 -1.67 54.91 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.348 -0.842 . . . . 50.0 111.229 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.9 tptt . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.518 -0.764 . . . . 50.0 110.157 178.722 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p . . . . . 0 C--O 1.235 0.318 0 CA-C-O 121.031 0.443 . . . . 50.0 111.119 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.63 -118.34 0.65 Allowed Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.004 -0.998 . . . . 75.0 111.808 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.29 126.65 13.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.618 0.367 . . . . 25.0 110.334 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.26 152.51 41.78 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.71 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.4 mt -111.06 137.31 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.706 -0.679 . . . . 75.0 109.253 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -141.83 118.82 11.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.956 -0.565 . . . . 75.0 109.593 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 63.42 41.12 7.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.826 0.85 . . . . 75.0 111.909 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.23 -8.3 0.87 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.648 1.179 . . . . 75.0 113.51 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -92.98 119.69 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -80.12 135.59 36.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.111 -0.495 . . . . 75.0 111.438 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.37 -158.72 8.49 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.129 -0.941 . . . . 75.0 113.215 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -126.58 137.54 57.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.068 -0.566 . . . . 75.0 109.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 HG12 HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.88 137.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 116.285 -0.416 . . . . 75.0 110.586 -178.253 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.06 44.64 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.148 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -104.14 131.48 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.369 0.604 . . . . 75.0 110.771 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -98.91 105.31 17.44 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.518 -1.219 . . . . 50.0 111.026 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -122.94 167.72 13.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.478 -0.564 . . . . 75.0 109.478 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 69.59 5.47 5.2 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.628 0.771 . . . . 50.0 111.799 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.69 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 114.257 -1.338 . . . . 50.0 110.228 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -73.99 160.23 82.26 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 105.263 -2.125 . . . . 50.0 105.263 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -40.95 130.01 2.89 Favored 'Trans proline' 0 C--N 1.374 1.881 0 CA-C-N 122.32 1.864 . . . . 50.0 113.74 -139.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.44 139.09 20.52 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.043 -1.435 . . . . 25.0 113.3 -166.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.88 171.38 9.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 113.497 -1.683 . . . . 75.0 110.815 -169.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 HD12 HG12 ' A' ' 16' ' ' ILE . 25.7 tp -122.85 121.31 35.93 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.492 -0.929 . . . . 75.0 108.492 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.5 m -113.22 108.65 17.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.522 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 90.5 t90 -84.58 134.59 34.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.549 -0.75 . . . . 50.0 109.243 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.61 162.96 23.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.326 -0.852 . . . . 75.0 109.91 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.6 p -71.35 169.04 16.12 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -54.86 -30.34 57.54 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.61 0.596 . . . . 25.0 112.61 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.94 -31.35 11.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.359 -0.382 . . . . 75.0 110.551 170.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.86 18.79 11.81 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 115.641 -0.709 . . . . 75.0 113.92 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.2 p-10 -67.82 -29.68 68.9 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.73 0.412 . . . . 50.0 111.234 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -106.97 138.79 42.46 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.038 -0.727 . . . . 75.0 109.038 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.99 132.59 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 120.824 0.345 . . . . 50.0 111.775 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 99.5 m-70 -127.39 148.83 50.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.586 -0.734 . . . . 50.0 109.542 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.93 143.3 50.84 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.127 0.489 . . . . 25.0 111.782 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 62' ' ' LEU . 46.7 t -129.85 107.48 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 114.998 -1.001 . . . . 50.0 109.447 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.7 120.98 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.596 -0.891 . . . . 50.0 108.596 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.89 -21.22 59.35 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.523 0.934 . . . . 75.0 113.523 -171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -68.52 -3.64 12.3 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.267 0.556 . . . . 50.0 110.52 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.22 4.49 14.53 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.881 -1.054 . . . . 25.0 110.228 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.2 mm -111.76 144.91 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.652 0.781 . . . . 75.0 109.769 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -114.19 -45.34 3.06 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.936 -0.575 . . . . 50.0 111.587 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.716 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 24.9 mtmm -132.17 168.42 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.661 0.615 . . . . 75.0 112.661 -176.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.94 129.03 14.56 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.944 -0.762 . . . . 50.0 108.944 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -130.03 114.58 15.97 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 111.553 0.205 . . . . 75.0 111.553 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 60' ' ' LEU . . . -114.18 154.86 27.11 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.749 0.648 . . . . 75.0 112.749 -175.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.52 123.6 89.73 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-N 115.73 -0.668 . . . . 50.0 111.666 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.3 165.56 7.16 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.94 2.427 . . . . 75.0 113.156 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.64 54.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.956 -0.565 . . . . 25.0 112.161 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.5 p -97.1 -17.22 20.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 50.0 111.023 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -70.92 140.6 51.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.653 -0.703 . . . . 50.0 112.765 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -59.73 -24.06 63.71 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.593 -1.185 . . . . 50.0 112.181 174.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.76 153.99 18.01 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.31 -1.313 . . . . 50.0 113.137 -169.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm -125.37 97.86 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.935 -1.029 . . . . 75.0 108.894 169.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.664 ' SD ' ' HB3' ' A' ' 88' ' ' MET . 4.4 ttm -156.04 154.43 31.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.606 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 49.2 tp -136.93 118.9 15.29 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.183 -0.917 . . . . 50.0 108.963 176.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.594 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 14.5 mtm180 -101.12 146.97 26.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.264 0.554 . . . . 75.0 111.824 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD11 HG12 ' A' ' 40' ' ' VAL . 22.1 mt -127.0 103.48 7.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.618 -1.173 . . . . 50.0 109.494 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.716 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 88.7 mt -84.95 129.62 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.78 -0.645 . . . . 50.0 109.576 -174.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.9 162.45 31.32 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.446 -0.797 . . . . 50.0 113.522 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.236 0.355 0 CA-C-O 121.245 0.545 . . . . 75.0 111.255 178.481 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.288 0.477 . . . . 75.0 112.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -79.76 -18.8 50.2 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.386 -0.37 . . . . 50.0 111.803 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.32 23.22 1.34 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.235 0.614 . . . . 75.0 111.235 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' HG23 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -48.02 135.6 12.52 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.786 1.032 . . . . 75.0 113.786 -173.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -104.77 156.27 18.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.975 -1.011 . . . . 75.0 110.501 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.73 140.93 52.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 75.0 109.694 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -80.08 -172.0 3.22 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.834 -0.621 . . . . 50.0 112.183 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.78 -31.77 62.89 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.472 0.915 . . . . 75.0 113.472 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -89.97 -22.57 21.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 16.85 12.33 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.443 -0.408 . . . . 50.0 113.387 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -86.63 149.56 24.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 110.056 -0.35 . . . . 75.0 110.056 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HG2' HG22 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.34 118.09 16.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.535 -173.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.18 99.94 6.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.104 -0.953 . . . . 50.0 109.144 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' A' ' 71' ' ' LYS . 11.9 t -99.21 128.16 32.69 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.9 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -58.05 133.79 57.9 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.788 2.325 . . . . 75.0 112.943 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 115.363 -0.835 . . . . 75.0 112.139 -171.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 6.3 m-70 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 120.639 0.257 . . . . 75.0 110.969 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.664 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 2.8 mtt -102.23 142.58 33.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.972 0.415 . . . . 75.0 111.265 -175.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -133.49 126.52 31.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.386 -0.825 . . . . 50.0 109.829 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.71 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.6 m -83.39 146.23 28.57 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.841 0.353 . . . . 75.0 111.207 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -129.47 175.78 8.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.666 -0.697 . . . . 50.0 111.965 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -122.36 -14.92 7.77 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.623 -0.717 . . . . 50.0 110.922 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -143.38 143.83 31.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.789 0.436 . . . . 75.0 110.935 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -80.86 -18.38 47.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.88 -0.6 . . . . 75.0 112.549 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -76.98 -19.36 57.41 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.274 0.359 . . . . 25.0 111.112 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -82.3 -63.16 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.249 -0.649 . . . . 50.0 109.249 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.9 ptp -46.82 -39.63 12.27 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.63 -26.92 64.65 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.475 0.484 . . . . 50.0 111.759 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -87.28 -30.84 20.58 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 123.447 0.467 . . . . 75.0 112.171 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -70.77 -54.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.907 -0.775 . . . . 50.0 108.907 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -52.18 -42.23 63.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.213 1.005 . . . . 75.0 112.166 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.1 ttm -53.98 -53.5 52.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.17 0.588 . . . . 75.0 111.603 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.97 -57.8 11.3 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.28 0.363 . . . . 25.0 110.189 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.0 mt -43.54 -58.8 2.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.139 0.976 . . . . 50.0 111.161 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -50.35 -31.72 15.39 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.166 0.986 . . . . 75.0 113.534 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -82.34 -20.3 37.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 75.0 111.007 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.9 mt -83.06 -43.77 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.446 0.698 . . . . 75.0 111.616 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.37 -35.83 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.128 0.171 . . . . 50.0 111.089 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -63.7 -17.73 63.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.618 0.574 . . . . 50.0 111.743 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -78.14 -43.58 28.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.763 0.425 . . . . 50.0 110.906 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.46 -3.33 55.57 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.644 -0.707 . . . . 50.0 111.227 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.396 -0.82 . . . . 50.0 109.809 177.477 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 30.4 t . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.219 0.533 . . . . 75.0 112.09 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.12 -116.76 0.54 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 114.725 -1.125 . . . . 75.0 111.662 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.27 129.31 15.47 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 122.579 0.352 . . . . 25.0 110.519 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.72 149.96 36.48 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 64.1 mt -106.56 140.61 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.534 -0.543 . . . . 75.0 109.534 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -144.01 123.03 12.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 75.0 109.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 57.45 41.83 25.51 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.891 0.877 . . . . 75.0 112.061 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 70.85 -3.01 2.1 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.669 1.188 . . . . 75.0 113.027 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -92.06 122.3 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.576 -0.898 . . . . 75.0 108.576 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -81.14 132.27 35.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.125 -0.488 . . . . 50.0 110.212 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.97 -163.28 11.03 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 75.0 113.137 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.69 136.87 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 115.017 -0.592 . . . . 75.0 109.762 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.4 tt -100.43 140.38 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.984 -0.553 . . . . 75.0 110.167 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 146.2 45.54 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.016 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.32 140.23 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.571 0.7 . . . . 75.0 110.582 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.3 t-20 -110.26 99.48 8.51 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.045 -1.434 . . . . 75.0 110.612 -174.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.53 167.84 12.4 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.304 -0.628 . . . . 75.0 109.304 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.78 1.25 3.94 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.015 0.926 . . . . 50.0 110.541 -172.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -103.54 -172.68 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 114.635 -1.166 . . . . 50.0 110.096 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.03 161.59 77.78 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 106.214 -1.772 . . . . 75.0 106.214 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.96 129.36 4.21 Favored 'Trans proline' 0 C--N 1.372 1.802 0 CA-C-N 121.902 1.715 . . . . 50.0 113.255 -142.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.03 134.71 13.57 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.139 -1.391 . . . . 25.0 113.033 -165.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -130.89 139.63 50.13 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.941 -1.027 . . . . 75.0 112.951 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 62' ' ' LEU . 37.7 tp -95.69 109.14 21.46 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.166 -1.05 . . . . 75.0 108.166 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -102.76 107.07 17.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.084 -1.416 . . . . 25.0 110.54 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -84.5 136.5 33.79 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.723 -0.671 . . . . 50.0 109.518 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HG2' HG22 ' A' ' 37' ' ' VAL . 82.3 mtm180 -127.88 159.91 33.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.138 -0.937 . . . . 75.0 110.215 174.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -70.85 169.14 15.29 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.418 -0.586 . . . . 50.0 109.418 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -28.07 61.22 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.722 0.692 . . . . 25.0 112.535 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -99.55 -29.99 12.4 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.291 -0.413 . . . . 50.0 109.985 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.42 18.64 20.73 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-N 115.584 -0.734 . . . . 75.0 113.63 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.35 -28.48 65.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.468 0.307 . . . . 75.0 110.595 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HE2' ' HE2' ' A' ' 38' ' ' HIS . 73.6 tttt -109.98 128.19 55.24 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.355 -0.609 . . . . 75.0 109.355 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.459 HG22 ' HG2' ' A' ' 30' ' ' ARG . 45.8 t -139.25 128.38 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 116.297 -0.411 . . . . 50.0 111.486 -175.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HE2' ' HE2' ' A' ' 36' ' ' LYS . 96.6 m-70 -120.21 149.76 41.75 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.503 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.0 142.99 50.73 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.118 0.485 . . . . 25.0 111.506 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.7 t -132.02 106.95 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.225 -0.898 . . . . 50.0 109.955 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' A' ' 44' ' ' THR . 90.2 t -82.43 117.25 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.602 -0.888 . . . . 50.0 108.602 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.66 -18.3 60.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.548 0.944 . . . . 75.0 113.548 -170.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.429 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.68 -3.97 17.52 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.038 0.447 . . . . 75.0 110.779 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 71.3 p -115.1 7.89 15.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.24 -0.891 . . . . 25.0 110.139 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.5 mm -114.68 137.19 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.709 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -107.93 -42.04 4.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.874 -0.603 . . . . 50.0 111.397 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.59 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.8 mttt -132.99 170.28 15.6 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.846 0.684 . . . . 50.0 112.846 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.69 126.12 10.12 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 90.9 mt-30 -127.32 117.95 23.23 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.506 0.194 . . . . 75.0 110.926 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.594 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.18 160.15 17.87 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.289 0.477 . . . . 75.0 112.289 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.0 p -77.57 121.55 84.51 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-N 115.889 -0.596 . . . . 50.0 111.008 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.37 165.98 3.84 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.971 2.448 . . . . 75.0 113.344 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -10.87 60.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.704 -0.68 . . . . 25.0 112.03 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -99.34 -8.57 24.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.115 -0.493 . . . . 50.0 110.977 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.689 ' HG ' ' H ' ' A' ' 57' ' ' LYS . 29.8 t -78.46 139.75 38.68 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.142 0.496 . . . . 50.0 112.116 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.687 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.1 mp0 -61.52 -16.69 49.91 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.977 -1.011 . . . . 50.0 111.791 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.689 ' H ' ' HG ' ' A' ' 55' ' ' SER . 40.2 mttm -99.39 157.29 16.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.654 -1.157 . . . . 75.0 112.977 -173.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.0 mtm -133.31 100.86 4.97 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.757 -1.11 . . . . 75.0 110.07 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.558 ' O ' ' SD ' ' A' ' 97' ' ' MET . 65.5 mtt -157.55 156.13 31.43 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.606 -1.179 . . . . 75.0 111.074 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 51.7 tp -135.6 118.57 16.34 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.53 -0.759 . . . . 50.0 109.166 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' NH1' ' HB2' ' A' ' 88' ' ' MET . 62.9 mtt-85 -103.66 142.84 33.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.069 0.461 . . . . 75.0 111.606 -176.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 66.7 mt -124.33 106.19 10.05 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.03 -0.986 . . . . 50.0 110.108 -178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -85.53 134.69 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.518 -0.764 . . . . 50.0 110.203 -173.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.7 159.94 27.28 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 115.886 -0.597 . . . . 50.0 113.878 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 C--O 1.237 0.444 0 CA-C-O 121.447 0.642 . . . . 75.0 112.105 179.234 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 112.118 0.414 . . . . 75.0 112.118 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -80.4 -22.95 40.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.362 -0.381 . . . . 50.0 111.919 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.02 132.63 35.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.775 0.43 . . . . 75.0 111.357 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.9 128.03 43.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.689 -0.687 . . . . 75.0 111.391 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 36.4 ttp85 -111.98 153.15 27.23 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.927 -0.579 . . . . 75.0 109.674 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.62 140.76 51.61 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.359 -0.382 . . . . 75.0 109.98 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.25 -174.99 4.84 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.976 -0.556 . . . . 50.0 111.458 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.01 -31.95 69.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.669 0.618 . . . . 75.0 112.669 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.22 -30.51 57.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.099 0.407 . . . . 50.0 112.099 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.06 15.86 13.64 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.285 0.366 . . . . 50.0 113.358 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.8 149.39 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.441 0.296 . . . . 75.0 110.527 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.612 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.3 pm0 -76.27 109.66 10.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.332 0.587 . . . . 50.0 111.341 -174.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 99.5 t -117.38 119.6 62.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 114.746 -1.116 . . . . 50.0 109.918 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.0 127.17 41.85 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 119.365 -0.35 . . . . 75.0 110.569 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -66.0 126.5 15.96 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.937 2.425 . . . . 75.0 113.71 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 CA--C 1.551 0.996 0 CA-C-N 114.864 -1.062 . . . . 75.0 111.581 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 93.9 m-70 . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.662 0.268 . . . . 75.0 110.675 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.548 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 65.7 ttp -99.95 142.15 31.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.294 -0.412 . . . . 75.0 111.178 -175.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.94 127.97 29.64 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.396 -0.82 . . . . 50.0 109.567 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.695 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.0 144.45 29.94 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.052 0.454 . . . . 75.0 111.464 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -128.67 173.61 10.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.271 -0.877 . . . . 50.0 111.612 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -122.73 -14.49 7.7 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.824 -0.626 . . . . 75.0 112.271 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -148.83 126.01 11.43 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 120.862 0.363 . . . . 75.0 110.926 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 -56.06 -21.81 24.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.482 0.919 . . . . 75.0 113.482 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -72.87 -33.52 66.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.149 0.28 . . . . 25.0 111.062 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.35 -61.91 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.594 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.3 ttp -49.66 -26.52 3.76 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.619 0.97 . . . . 50.0 113.619 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -84.68 -27.2 27.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.667 0.247 . . . . 50.0 111.667 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.45 -30.83 42.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.462 0.305 . . . . 75.0 111.746 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.0 mm -75.32 -54.47 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -54.13 -41.75 68.73 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.781 0.832 . . . . 75.0 112.54 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.2 ttp -55.6 -54.26 46.28 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.32 0.387 . . . . 50.0 111.632 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -55.12 -58.09 9.06 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.273 0.358 . . . . 25.0 110.049 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.0 mt -43.82 -60.75 1.68 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.869 0.868 . . . . 50.0 110.863 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -52.76 -28.34 21.87 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.846 0.858 . . . . 75.0 113.077 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -86.31 -20.31 28.55 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.049 -0.523 . . . . 75.0 110.973 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 96.6 mt -83.69 -41.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 C-N-CA 123.4 0.68 . . . . 75.0 111.552 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.8 mt -70.24 -33.79 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.143 0.177 . . . . 50.0 110.933 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.84 -17.14 64.0 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.749 0.656 . . . . 75.0 111.587 174.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -79.93 -39.19 30.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.008 -0.542 . . . . 75.0 110.746 173.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 90.3 m-85 -86.78 -2.83 58.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.257 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 28.2 tptp . . . . . 0 CA--C 1.536 0.418 0 CA-C-N 115.43 -0.804 . . . . 50.0 110.066 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 84.6 p . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.02 0.438 . . . . 75.0 111.939 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' HG21 ' A' ' 15' ' ' ILE . . . -154.29 -112.44 0.46 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.066 -0.97 . . . . 75.0 111.729 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.23 127.96 10.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.641 0.376 . . . . 25.0 110.494 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.95 151.21 37.44 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.821 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 90.9 mt -109.82 141.03 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 115.938 -0.574 . . . . 75.0 109.507 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -148.67 115.42 5.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.258 -0.645 . . . . 75.0 109.258 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 12' ' ' VAL . 93.9 mt-10 61.87 52.34 3.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.562 0.745 . . . . 75.0 111.366 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt 55.56 3.47 0.08 Allowed 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.577 1.551 . . . . 75.0 114.258 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' HZ1' ' A' ' 36' ' ' LYS . 98.1 t -101.72 115.03 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 108.535 -0.913 . . . . 50.0 108.535 170.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.7 t -77.33 138.36 39.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.306 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -161.0 10.09 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.285 -0.87 . . . . 75.0 113.144 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG21 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -123.74 139.67 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 114.97 -0.615 . . . . 75.0 109.513 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 4' ' ' SER . 8.2 tt -100.86 137.07 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.094 -0.503 . . . . 75.0 110.409 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.24 145.81 44.04 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.382 0.426 . . . . 25.0 111.266 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.77 131.94 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.224 0.535 . . . . 75.0 110.265 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.679 ' ND2' ' HG1' ' A' ' 28' ' ' THR . 95.3 m-20 -100.69 106.15 17.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.67 -1.15 . . . . 50.0 111.19 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.73 167.77 12.57 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.027 -0.731 . . . . 75.0 109.027 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 72.17 2.72 4.42 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.89 0.876 . . . . 50.0 110.629 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 23' ' ' SER . 29.3 m -102.98 -172.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.336 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.3 p -73.39 159.76 84.06 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.312 -2.107 . . . . 50.0 105.312 171.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.96 129.82 2.9 Favored 'Trans proline' 0 C--N 1.374 1.882 0 CA-C-N 122.206 1.824 . . . . 50.0 113.692 -139.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' HH ' ' A' ' 111' ' ' TYR . . . -48.68 137.77 11.69 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.139 -1.392 . . . . 25.0 113.243 -167.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 41' ' ' VAL . 9.4 mt-10 -124.47 172.09 9.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.566 -1.652 . . . . 75.0 111.195 -168.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.7 tp -125.76 109.98 13.2 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.787 -1.19 . . . . 75.0 107.787 172.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.679 ' HG1' ' ND2' ' A' ' 19' ' ' ASN . 97.0 m -110.01 110.34 21.23 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.167 -170.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -85.49 134.11 34.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.478 -0.783 . . . . 50.0 109.57 170.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -128.3 156.89 42.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.553 -0.749 . . . . 75.0 109.776 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.4 p -68.02 168.34 12.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.911 -0.403 . . . . 50.0 109.911 178.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -56.74 -27.96 60.24 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.429 0.559 . . . . 25.0 112.359 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -99.95 -28.0 13.3 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.195 -0.457 . . . . 50.0 109.98 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.13 18.05 25.53 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.615 -0.721 . . . . 75.0 113.497 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -69.86 -29.73 67.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.594 0.358 . . . . 75.0 110.763 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HZ1' HG22 ' A' ' 12' ' ' VAL . 99.6 mttt -110.48 138.19 47.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.042 -0.526 . . . . 75.0 109.61 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.63 134.22 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-O 120.816 0.341 . . . . 50.0 111.781 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -127.75 145.99 50.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.586 -0.733 . . . . 50.0 109.381 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -129.32 129.19 44.52 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.03 0.443 . . . . 25.0 112.118 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.8 t -112.27 107.59 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.836 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 26' ' ' GLU . 60.0 t -82.92 122.82 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.28 -23.45 57.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.76 1.022 . . . . 75.0 113.76 -170.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 94.8 p -67.38 -3.58 8.65 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.163 0.506 . . . . 75.0 110.922 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -114.93 4.33 14.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.889 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.531 HG21 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -113.31 141.97 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.297 -0.865 . . . . 75.0 109.587 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.25 -40.09 3.74 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.028 -0.533 . . . . 50.0 111.288 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 95.1 mttt -133.39 169.63 16.65 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -176.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.5 130.46 13.39 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.393 -0.821 . . . . 50.0 108.848 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -128.77 119.63 24.9 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.36 0.124 . . . . 75.0 110.865 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.0 149.69 34.98 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.15 0.426 . . . . 50.0 112.15 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -67.65 120.0 70.14 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 116.021 -0.536 . . . . 75.0 111.359 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.12 164.13 5.38 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.732 2.288 . . . . 75.0 113.349 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.33 56.06 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.75 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.51 -9.91 26.25 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.606 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.42 138.19 37.53 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.883 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.621 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.2 mp0 -63.02 -15.61 57.03 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.204 -0.907 . . . . 50.0 111.938 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -97.29 153.3 18.13 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.704 -1.134 . . . . 50.0 113.203 -171.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 76.3 mtm -124.32 98.13 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.835 -1.075 . . . . 75.0 109.103 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.503 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.1 mtt -155.98 154.75 31.59 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.64 -0.709 . . . . 75.0 111.485 -175.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 40.8 tp -134.55 119.78 18.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.378 -0.828 . . . . 50.0 109.47 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -101.26 146.52 27.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 75.0 111.669 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -128.36 111.62 13.54 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 50.0 110.119 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 49.6 mm -85.02 138.55 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 50.0 110.727 -174.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.12 157.25 24.04 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 115.826 -0.625 . . . . 50.0 113.183 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.451 0.643 . . . . 75.0 112.697 -178.782 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 112.392 0.516 . . . . 75.0 112.392 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.6 p -77.95 -4.33 46.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.638 0.375 . . . . 50.0 111.751 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -92.2 34.36 1.03 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.296 0.638 . . . . 75.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -46.18 127.0 8.31 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.436 1.094 . . . . 75.0 113.294 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -107.71 151.78 25.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.255 -0.884 . . . . 50.0 109.972 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.13 143.67 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.284 0.365 . . . . 75.0 110.413 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -82.5 -169.46 2.46 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.639 -0.71 . . . . 50.0 111.765 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.37 -31.71 64.07 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.485 0.92 . . . . 75.0 113.485 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.77 -21.1 21.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.3 0.481 . . . . 50.0 112.3 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.5 17.57 13.33 Favored Glycine 0 C--N 1.342 0.875 0 C-N-CA 121.402 -0.428 . . . . 50.0 113.435 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -87.83 145.92 25.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.198 -0.297 . . . . 75.0 110.198 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG2' HG23 ' A' ' 81' ' ' VAL . 29.2 tt0 -72.93 114.8 11.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 75.0 111.353 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 100.76 11.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 115.108 -0.951 . . . . 50.0 109.003 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.0 t -93.44 127.85 44.77 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.398 -0.819 . . . . 50.0 111.566 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -64.58 129.25 23.17 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.91 2.407 . . . . 75.0 112.236 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.347 -0.842 . . . . 75.0 112.696 -170.755 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 94.0 m-70 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 109.023 -0.732 . . . . 75.0 109.023 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 39.2 ttm -108.69 136.87 47.56 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.453 0.644 . . . . 75.0 111.944 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -117.92 165.72 13.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.187 -1.369 . . . . 50.0 108.794 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.821 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 70.1 m -117.94 145.23 44.84 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.917 0.389 . . . . 75.0 110.534 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.1 m-85 -128.71 175.56 8.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.632 -0.713 . . . . 50.0 112.053 -173.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.19 -13.96 7.12 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.649 -0.705 . . . . 50.0 110.958 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -143.28 143.54 31.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.652 0.381 . . . . 75.0 110.843 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -80.97 -18.68 46.14 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.556 0.576 . . . . 75.0 112.556 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -77.93 -19.41 54.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.086 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.49 -62.13 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.75 -40.16 19.8 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 112.951 0.723 . . . . 50.0 112.951 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.55 -25.25 63.01 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.464 0.478 . . . . 50.0 111.756 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.29 -32.94 19.42 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.536 0.522 . . . . 75.0 112.1 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.13 -53.2 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -52.78 -42.61 65.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.949 0.9 . . . . 75.0 111.963 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.2 ttp -52.14 -54.3 32.25 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.273 0.629 . . . . 75.0 111.777 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.9 m -59.96 -57.24 13.72 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.511 HD13 HD23 ' A' ' 27' ' ' LEU . 95.8 mt -43.47 -58.63 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.134 0.974 . . . . 50.0 111.043 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -50.32 -32.74 17.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.069 0.948 . . . . 75.0 113.232 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -82.28 -20.33 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.929 -0.578 . . . . 75.0 111.185 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.466 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.0 mt -83.94 -41.29 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.332 0.653 . . . . 75.0 111.668 177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.444 HG13 ' CD1' ' A' ' 42' ' ' LEU . 58.4 mt -69.86 -35.6 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 120.495 0.188 . . . . 50.0 110.805 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -63.92 -18.31 64.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.773 -0.648 . . . . 75.0 111.756 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -77.3 -40.62 43.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.267 -0.424 . . . . 75.0 110.72 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 72.6 m-85 -86.04 -0.82 56.49 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.055 -0.521 . . . . 50.0 111.308 176.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 tptt . . . . . 0 CA--C 1.535 0.398 0 CA-C-N 115.463 -0.79 . . . . 50.0 110.31 179.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.392 0 CA-C-O 120.925 0.393 . . . . 50.0 111.026 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 -113.98 0.66 Allowed Glycine 0 C--N 1.335 0.48 0 CA-C-N 115.247 -0.888 . . . . 75.0 111.959 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.99 125.33 9.44 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.694 0.398 . . . . 25.0 110.303 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.59 151.89 40.73 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.315 0.487 . . . . 25.0 112.315 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.792 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -110.27 138.19 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.662 -0.699 . . . . 75.0 109.305 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -140.87 116.28 10.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.955 -0.566 . . . . 75.0 109.841 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 62.68 42.31 8.39 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.908 0.883 . . . . 75.0 112.06 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm 70.07 -5.96 1.19 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.71 1.204 . . . . 75.0 113.928 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG22 ' HE2' ' A' ' 36' ' ' LYS . 78.6 t -95.21 116.96 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 108.822 -0.807 . . . . 50.0 108.822 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.7 t -79.22 137.86 37.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.023 -0.535 . . . . 50.0 111.439 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.53 -158.75 8.84 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.254 -0.885 . . . . 75.0 113.108 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -125.87 138.49 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.426 -0.583 . . . . 75.0 109.426 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 HD11 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.63 137.71 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.551 -178.118 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.46 139.71 40.78 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.368 0.417 . . . . 25.0 111.304 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -97.55 132.71 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.031 0.443 . . . . 75.0 110.13 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -101.62 105.1 15.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.052 -0.976 . . . . 50.0 111.248 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.97 167.91 12.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.767 -0.651 . . . . 75.0 109.309 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.13 2.64 4.39 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 123.74 0.816 . . . . 50.0 111.65 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.91 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.306 -1.315 . . . . 50.0 110.031 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -73.5 165.84 49.36 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 106.162 -1.792 . . . . 75.0 106.162 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.39 129.08 3.42 Favored 'Trans proline' 0 C--N 1.376 1.998 0 CA-C-N 122.46 1.914 . . . . 50.0 113.228 -142.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' H ' ' HH ' ' A' ' 111' ' ' TYR . . . -51.46 141.0 16.56 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.3 -1.318 . . . . 25.0 113.008 -165.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.54 172.06 10.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.767 -1.56 . . . . 75.0 111.225 -167.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 62' ' ' LEU . 48.4 tp -127.19 107.73 10.27 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.991 -1.115 . . . . 75.0 107.991 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -107.97 109.6 21.12 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.165 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 86.4 t90 -85.85 133.5 33.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.406 -0.815 . . . . 50.0 109.624 171.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -126.68 157.27 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.565 -0.743 . . . . 75.0 109.73 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.6 p -67.8 169.32 9.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.075 -0.343 . . . . 50.0 110.075 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -57.0 -28.24 62.26 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.99 -28.74 12.92 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.151 -0.477 . . . . 50.0 109.963 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.22 18.25 24.73 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.618 -0.719 . . . . 75.0 113.647 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' A' ' 31' ' ' SER . 12.8 p-10 -70.61 -30.91 67.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.536 0.334 . . . . 75.0 110.615 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.6 mttp -105.22 137.67 42.63 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.228 -0.656 . . . . 75.0 109.228 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.51 134.05 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-O 120.786 0.327 . . . . 50.0 111.76 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -128.75 146.45 50.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.651 -0.704 . . . . 50.0 109.566 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.01 127.29 41.32 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.892 0.377 . . . . 25.0 111.834 -175.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.598 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.6 t -110.97 107.66 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.106 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.8 t -82.05 122.63 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 108.534 -0.913 . . . . 50.0 108.534 174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.31 -23.27 59.04 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.876 1.065 . . . . 75.0 113.876 -171.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.9 p -66.83 -10.87 52.56 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.849 0.357 . . . . 50.0 111.364 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -115.2 13.52 16.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.699 173.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -109.6 142.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.402 -0.817 . . . . 75.0 108.801 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.54 -48.69 2.99 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.284 0.365 . . . . 50.0 111.673 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.669 ' O ' HD21 ' A' ' 48' ' ' LEU . 98.9 mttt -131.67 170.11 15.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 122.565 0.346 . . . . 75.0 110.794 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.669 HD21 ' O ' ' A' ' 47' ' ' LYS . 61.7 mt -146.72 132.6 19.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.035 -0.728 . . . . 50.0 109.035 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -129.57 114.37 15.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.83 0.308 . . . . 75.0 111.83 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.2 156.0 26.15 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.513 0.56 . . . . 75.0 112.513 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.835 HG23 ' HA ' ' A' ' 58' ' ' MET . 10.4 t -71.22 123.78 89.91 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 123.242 0.617 . . . . 75.0 111.693 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -59.22 164.63 10.24 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.728 2.285 . . . . 75.0 113.066 174.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.98 58.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.998 -0.546 . . . . 25.0 112.032 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -94.52 -17.41 22.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.862 -0.608 . . . . 50.0 111.092 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -72.15 140.27 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.614 -0.721 . . . . 50.0 112.64 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.16 -16.99 64.11 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.012 -0.995 . . . . 50.0 111.87 176.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -95.46 156.56 16.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 50.0 112.904 -172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.835 ' HA ' HG23 ' A' ' 51' ' ' THR . 71.7 mtm -128.33 98.18 4.98 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.059 -0.973 . . . . 75.0 109.046 169.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.576 ' H ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -156.54 155.21 31.54 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.794 -0.639 . . . . 75.0 111.524 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.76 118.43 14.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.268 -0.878 . . . . 50.0 109.047 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -104.21 142.46 34.48 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.291 0.567 . . . . 75.0 111.798 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.641 ' CD1' HD22 ' A' ' 27' ' ' LEU . 13.7 mt -121.12 105.73 10.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.806 -1.088 . . . . 50.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -86.15 135.97 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.317 -0.856 . . . . 50.0 109.891 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.52 165.59 26.16 Favored Glycine 0 C--N 1.336 0.535 0 CA-C-N 115.728 -0.669 . . . . 50.0 113.746 -173.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.235 0.33 0 C-N-CA 122.92 0.488 . . . . 75.0 110.915 178.737 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 112.602 0.593 . . . . 75.0 112.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -75.46 -7.23 53.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.811 0.339 . . . . 50.0 111.705 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.57 36.1 1.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 75.0 110.713 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -45.39 122.24 3.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.086 0.955 . . . . 75.0 112.854 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -103.1 154.11 19.62 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.853 -1.067 . . . . 75.0 109.905 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.74 146.73 50.11 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.272 0.357 . . . . 75.0 110.11 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -88.22 -168.56 2.25 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.782 -0.645 . . . . 50.0 111.784 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.2 -31.72 65.74 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.355 0.872 . . . . 75.0 113.355 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -91.28 -22.13 20.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.14 0.422 . . . . 50.0 112.14 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.61 25.0 7.11 Favored Glycine 0 C--N 1.34 0.767 0 C-N-CA 121.525 -0.369 . . . . 50.0 113.3 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -93.35 145.65 24.31 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 110.026 -0.361 . . . . 75.0 110.026 176.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.6 tt0 -72.49 112.25 8.38 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.051 0.453 . . . . 75.0 111.356 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.48 101.15 12.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.107 -0.952 . . . . 50.0 109.306 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -91.59 127.93 48.5 Favored Pre-proline 0 CA--C 1.551 1.01 0 CA-C-N 115.379 -0.828 . . . . 50.0 111.524 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.69 133.69 46.64 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.089 2.526 . . . . 75.0 113.504 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.552 1.049 0 CA-C-N 114.607 -1.179 . . . . 75.0 111.507 -177.502 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 20.9 m-70 . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 120.68 0.276 . . . . 75.0 111.14 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.5 mtt -99.9 141.13 33.12 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.965 0.412 . . . . 75.0 111.275 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.581 ' HE2' ' HB2' ' A' ' 29' ' ' TRP . 67.5 m-85 -132.83 127.23 34.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.4 -0.818 . . . . 50.0 109.702 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.792 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 75.8 m -83.5 145.01 29.16 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.858 0.361 . . . . 75.0 111.244 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -128.66 175.9 8.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.583 -0.735 . . . . 50.0 111.856 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -123.33 -14.2 7.48 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.814 -0.63 . . . . 75.0 111.619 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -143.54 143.63 31.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.789 0.436 . . . . 75.0 110.944 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.9 mmt180 -79.39 -18.35 52.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.875 -0.602 . . . . 75.0 112.592 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.79 -21.54 54.99 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.227 0.329 . . . . 25.0 111.153 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.99 -62.5 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.305 -0.628 . . . . 50.0 109.305 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 94' ' ' ARG . 25.2 ptp -47.01 -39.93 13.56 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -71.46 -24.85 62.08 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.562 0.539 . . . . 50.0 111.753 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.17 -33.87 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.793 0.437 . . . . 75.0 112.028 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mm -68.33 -54.43 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.784 -0.821 . . . . 50.0 108.784 172.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -53.55 -41.35 66.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.129 0.972 . . . . 75.0 112.289 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.4 ttm -54.41 -51.77 63.85 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.49 0.494 . . . . 75.0 111.52 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.9 m -60.48 -58.57 7.93 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 175.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.552 ' HB3' HD11 ' A' ' 48' ' ' LEU . 75.3 mt -43.77 -59.33 2.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.065 0.946 . . . . 50.0 110.969 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -49.21 -32.88 11.3 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.595 0.961 . . . . 75.0 113.595 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.97 -20.33 33.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.117 -0.492 . . . . 75.0 111.038 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.84 -43.32 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.263 0.625 . . . . 75.0 111.604 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.2 mt -70.34 -36.45 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.108 0.163 . . . . 50.0 110.964 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.575 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.9 p -63.44 -17.49 62.74 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.684 0.615 . . . . 75.0 112.132 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -78.62 -43.66 25.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.335 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HH ' ' H ' ' A' ' 25' ' ' ALA . 70.4 m-85 -80.42 -1.03 39.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.334 -0.848 . . . . 50.0 111.383 175.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 6.2 mmtp . . . . . 0 CA--C 1.537 0.449 0 CA-C-N 115.505 -0.77 . . . . 50.0 110.289 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.916 0.388 . . . . 75.0 111.727 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -164.05 -119.34 0.48 Allowed Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.334 -0.848 . . . . 75.0 111.958 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.72 127.18 15.96 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.583 0.353 . . . . 25.0 110.634 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -142.88 153.63 43.33 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt -111.85 139.2 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 115.884 -0.598 . . . . 75.0 109.402 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -144.72 122.4 11.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.855 -0.611 . . . . 75.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 62.9 38.63 11.18 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.73 0.812 . . . . 75.0 112.122 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 68.72 -5.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.588 1.155 . . . . 75.0 113.444 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' HD2' ' A' ' 36' ' ' LYS . 72.2 t -93.63 118.75 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 173.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.6 t -79.87 136.88 36.78 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.184 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.71 -157.2 7.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.166 -0.925 . . . . 75.0 113.277 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' GLY . 84.2 mt -126.84 137.15 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.913 -0.643 . . . . 75.0 109.64 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.583 HD12 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.75 133.93 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.245 -0.434 . . . . 75.0 110.512 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 139.08 41.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.905 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.33 130.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 122.118 0.961 . . . . 50.0 111.302 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.88 105.93 17.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 112.923 -1.944 . . . . 50.0 112.089 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -126.47 168.23 14.52 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.412 -0.813 . . . . 75.0 109.564 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 73.57 0.97 3.81 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.164 0.986 . . . . 50.0 110.743 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.35 -171.44 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 114.717 -1.128 . . . . 50.0 110.136 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -72.8 162.65 73.31 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 106.134 -1.802 . . . . 75.0 106.134 172.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.27 128.77 3.22 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 121.933 1.726 . . . . 50.0 113.194 -139.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.42 135.14 18.15 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.093 -1.412 . . . . 25.0 113.029 -166.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG2' HG23 ' A' ' 41' ' ' VAL . 5.2 mt-10 -121.44 171.66 8.62 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.411 -1.722 . . . . 75.0 110.97 -169.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 16' ' ' ILE . 38.3 tp -126.3 111.16 14.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.142 -1.058 . . . . 75.0 108.142 174.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -108.12 111.15 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.323 -171.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -85.4 140.04 31.07 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.51 -0.768 . . . . 50.0 109.43 169.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.5 mtm180 -133.68 159.61 40.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.951 -1.022 . . . . 50.0 109.27 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 89.6 p -77.9 165.09 24.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.16 -0.448 . . . . 50.0 109.794 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.8 m -54.92 -31.85 60.59 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -97.07 -29.57 13.55 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.212 -0.449 . . . . 50.0 109.912 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.3 17.92 18.5 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 115.493 -0.776 . . . . 75.0 113.636 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.7 p-10 -69.47 -24.97 63.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.69 0.396 . . . . 50.0 111.497 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD2' HG13 ' A' ' 12' ' ' VAL . 16.7 mttp -116.51 138.79 51.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.944 -0.571 . . . . 75.0 109.802 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.464 HG22 ' C ' ' A' ' 36' ' ' LYS . 60.7 t -147.21 125.92 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 CA-C-N 116.453 -0.339 . . . . 50.0 111.081 -174.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -120.31 147.36 45.11 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 50.0 109.719 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.55 130.47 45.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.986 0.422 . . . . 25.0 112.042 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.5 t -114.44 107.54 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.329 -0.851 . . . . 50.0 110.035 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG23 ' HG2' ' A' ' 26' ' ' GLU . 60.1 t -81.22 121.56 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.667 -0.864 . . . . 50.0 108.667 176.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD12 HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -75.78 -23.12 55.89 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.792 1.034 . . . . 75.0 113.792 -171.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.41 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -67.71 -1.47 5.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.135 0.493 . . . . 75.0 111.005 174.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -115.01 0.1 13.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.144 -0.935 . . . . 25.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -108.42 141.46 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.763 0.825 . . . . 75.0 109.841 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -107.83 -51.1 2.95 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.1 -0.5 . . . . 50.0 111.485 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.87 170.24 15.15 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.801 0.44 . . . . 75.0 110.519 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.96 133.99 20.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -131.19 121.41 24.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.484 0.183 . . . . 75.0 111.184 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.57 153.33 30.29 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.013 0.375 . . . . 50.0 112.013 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -67.95 121.71 80.9 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.956 -0.566 . . . . 75.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.33 162.62 5.68 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.8 2.334 . . . . 75.0 113.247 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.57 -8.99 58.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.804 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -93.52 -17.11 23.76 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.69 -0.686 . . . . 75.0 110.863 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -74.06 136.84 43.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.622 -0.717 . . . . 50.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.642 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 7.1 mp0 -60.09 -25.0 65.08 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.746 -1.116 . . . . 75.0 111.937 175.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -85.47 152.77 22.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.248 -1.342 . . . . 50.0 113.268 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.599 ' HE3' ' HD3' ' A' ' 94' ' ' ARG . 97.6 mmm -124.64 97.93 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.909 -1.041 . . . . 75.0 108.97 169.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.519 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 89.3 mtp -155.84 153.97 30.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.63 -0.714 . . . . 50.0 111.484 -175.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 6.6 tp -133.72 119.78 19.75 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.285 -0.87 . . . . 50.0 109.284 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -100.63 145.83 27.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.169 0.509 . . . . 75.0 111.715 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.4 mm? -125.97 102.5 7.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.939 -1.028 . . . . 50.0 109.847 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mt -85.3 133.19 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.247 -0.888 . . . . 50.0 109.781 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.0 168.8 29.01 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.732 -0.667 . . . . 50.0 113.998 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.004 -0.598 . . . . 75.0 110.857 177.749 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.217 0.451 . . . . 75.0 112.217 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.17 -14.65 60.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.857 0.361 . . . . 50.0 111.672 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -96.7 40.49 1.13 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.566 -0.743 . . . . 75.0 110.776 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -44.64 118.34 1.55 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 114.995 -1.002 . . . . 75.0 112.469 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -102.9 152.11 21.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.717 -1.129 . . . . 75.0 110.262 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -126.37 144.12 50.93 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.313 -0.403 . . . . 75.0 110.129 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -84.71 -169.03 2.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.77 -0.65 . . . . 50.0 111.911 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.81 -31.55 64.81 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.457 0.91 . . . . 75.0 113.457 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.98 -23.94 21.39 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.063 0.394 . . . . 50.0 112.063 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 18.42 10.36 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.517 -0.373 . . . . 50.0 113.335 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -89.04 148.47 23.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.478 0.311 . . . . 75.0 110.234 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -72.25 116.03 12.2 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.472 . . . . 75.0 111.624 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.65 100.74 10.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.041 -0.981 . . . . 50.0 109.05 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.24 128.28 47.88 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 115.547 -0.751 . . . . 50.0 111.31 -172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.88 132.74 46.62 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 123.062 2.508 . . . . 75.0 113.209 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 CA--C 1.55 0.968 0 CA-C-N 114.594 -1.184 . . . . 75.0 111.455 -175.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 98.0 m-70 . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.776 0.322 . . . . 75.0 110.476 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.5 mtp -105.89 135.94 46.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.371 0.605 . . . . 75.0 111.321 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -115.73 165.63 12.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.497 -1.229 . . . . 50.0 108.977 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 145.45 45.13 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.722 0.296 . . . . 75.0 110.459 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.2 m-85 -129.11 175.7 8.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.793 -0.639 . . . . 50.0 112.126 -172.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -123.27 -15.75 7.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.668 -0.696 . . . . 50.0 111.046 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.77 143.68 32.3 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.788 0.435 . . . . 75.0 110.91 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.599 ' HD3' ' HE3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -80.22 -18.24 50.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.601 0.593 . . . . 75.0 112.601 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.54 -19.21 58.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.276 0.36 . . . . 25.0 111.132 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.03 -62.88 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.5 ptp -47.04 -39.3 12.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 112.944 0.72 . . . . 50.0 112.944 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.46 -26.36 63.6 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.443 0.464 . . . . 50.0 111.744 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.08 -31.05 20.68 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 75.0 112.123 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.81 -53.59 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.782 -0.822 . . . . 50.0 108.782 172.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -51.64 -44.28 62.91 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.073 0.949 . . . . 75.0 111.906 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.7 ttm -53.47 -52.42 59.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.234 0.614 . . . . 75.0 111.534 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.26 -59.58 5.24 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.35 0.406 . . . . 25.0 110.085 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.588 HD23 HD12 ' A' ' 42' ' ' LEU . 80.5 mt -43.86 -57.54 3.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.357 1.063 . . . . 50.0 111.218 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -50.98 -32.98 22.78 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.329 1.052 . . . . 75.0 113.362 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -81.2 -19.98 42.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.125 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.539 ' HB ' HD11 ' A' ' 42' ' ' LEU . 97.9 mt -81.91 -42.72 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 123.366 0.666 . . . . 75.0 111.703 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -72.24 -35.96 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 122.099 0.159 . . . . 50.0 111.138 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.552 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 85.6 p -62.71 -17.06 60.08 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.608 0.567 . . . . 75.0 111.875 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.75 -42.31 24.83 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.0 -0.545 . . . . 50.0 110.596 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -81.73 0.16 40.25 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.705 -0.68 . . . . 50.0 111.43 175.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.552 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.2 mmtp . . . . . 0 CA--C 1.535 0.369 0 CA-C-N 115.447 -0.797 . . . . 75.0 110.278 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.352 0 CA-C-O 120.882 0.373 . . . . 75.0 111.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -115.36 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.284 -0.871 . . . . 75.0 112.016 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.71 127.53 13.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.629 0.372 . . . . 25.0 110.621 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.54 152.74 41.82 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.756 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -111.54 139.25 36.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.688 -0.687 . . . . 75.0 109.217 176.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -142.18 115.93 9.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.085 -0.507 . . . . 75.0 109.692 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 60.94 46.24 8.7 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.929 0.871 . . . . 75.0 111.728 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 68.22 -5.42 0.9 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.435 -1.257 . . . . 75.0 113.638 173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -95.47 119.7 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.982 -0.748 . . . . 50.0 108.982 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.422 ' HA ' HG12 ' A' ' 8' ' ' ILE . 12.4 t -80.81 136.56 36.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.034 -0.53 . . . . 50.0 111.433 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.51 -159.76 9.08 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.086 -0.961 . . . . 75.0 113.106 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.66 137.76 56.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.441 -0.577 . . . . 75.0 109.441 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.1 tt -100.68 137.45 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.143 -0.481 . . . . 75.0 110.543 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.38 141.88 41.74 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.464 0.477 . . . . 25.0 111.271 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.11 132.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.111 0.482 . . . . 75.0 110.319 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.64 107.94 19.34 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.94 -1.027 . . . . 50.0 111.043 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.16 167.69 12.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.419 -0.585 . . . . 75.0 109.419 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.15 4.35 4.8 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.659 0.784 . . . . 50.0 111.832 -172.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -101.81 -172.34 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 114.305 -1.316 . . . . 50.0 110.211 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.53 158.51 86.33 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 105.358 -2.09 . . . . 50.0 105.358 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -40.39 130.15 2.44 Favored 'Trans proline' 0 C--N 1.374 1.889 0 CA-C-N 122.064 1.773 . . . . 50.0 113.981 -139.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.56 137.71 8.72 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.96 -1.473 . . . . 25.0 113.36 -168.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG2' HG21 ' A' ' 41' ' ' VAL . 15.8 mt-10 -123.35 172.08 8.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 113.508 -1.678 . . . . 75.0 111.14 -168.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 35.6 tp -128.7 106.12 8.73 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.935 -1.135 . . . . 75.0 107.935 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -106.57 112.09 24.93 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.26 -171.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -87.52 131.69 34.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.487 -0.778 . . . . 50.0 109.524 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -126.6 156.72 40.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.484 -0.78 . . . . 75.0 109.645 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 90.6 p -66.77 169.29 8.17 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 119.378 -0.344 . . . . 50.0 110.232 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -29.69 59.59 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.8 -31.04 11.72 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.164 -0.471 . . . . 50.0 109.923 170.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.92 18.28 12.72 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.703 -0.681 . . . . 75.0 113.834 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.9 p-10 -70.09 -31.28 68.78 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.531 0.333 . . . . 75.0 110.838 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 62.4 mttp -104.65 137.54 42.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.256 -0.646 . . . . 75.0 109.256 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.32 135.27 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 N-CA-C 111.977 0.362 . . . . 50.0 111.977 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -130.24 146.33 51.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.462 -0.79 . . . . 50.0 109.392 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.04 127.97 42.66 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.784 0.326 . . . . 25.0 111.811 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.2 t -112.13 107.4 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.484 -0.78 . . . . 50.0 110.124 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -81.89 121.13 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.485 -0.931 . . . . 50.0 108.485 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD11 HD21 ' A' ' 104' ' ' LEU . 3.4 mm? -75.37 -20.59 58.89 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.733 1.012 . . . . 75.0 113.733 -171.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.2 -3.5 13.9 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.225 0.536 . . . . 50.0 110.561 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -115.53 2.32 13.8 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.878 -1.056 . . . . 25.0 110.376 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -109.42 142.43 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.645 0.778 . . . . 75.0 109.699 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -110.19 -46.25 3.47 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.022 -0.536 . . . . 50.0 111.699 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.572 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.1 mttt -133.21 174.34 10.49 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.958 0.409 . . . . 75.0 111.866 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.53 129.74 12.77 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -125.78 116.51 21.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.479 0.18 . . . . 75.0 110.79 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.19 150.77 29.04 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.953 0.353 . . . . 75.0 111.953 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -69.76 121.58 83.05 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 123.024 0.53 . . . . 75.0 111.279 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.51 162.63 6.01 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.821 2.348 . . . . 75.0 113.294 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.637 ' HB3' ' HD2' ' A' ' 94' ' ' ARG . . . -72.03 -9.67 58.71 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.925 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p -95.6 -18.06 20.87 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.763 -0.653 . . . . 50.0 111.196 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.57 139.29 49.36 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.862 -0.608 . . . . 50.0 112.305 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -63.16 -15.74 57.82 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.073 -0.967 . . . . 50.0 112.015 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -98.15 153.64 18.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.677 -1.147 . . . . 75.0 113.161 -172.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.9 mtt -125.92 98.64 5.6 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.726 -1.124 . . . . 75.0 109.13 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 61.1 mtt -156.03 157.03 35.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.496 -0.775 . . . . 75.0 111.365 -174.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 91' ' ' PHE . 13.8 tp -136.68 118.39 15.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.339 -0.846 . . . . 50.0 108.986 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -101.32 145.2 29.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.116 0.484 . . . . 75.0 111.789 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.3 mm? -128.07 106.26 8.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.994 -1.003 . . . . 50.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 47' ' ' LYS . 82.2 mt -86.77 138.08 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 109.741 -0.466 . . . . 50.0 109.741 -175.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 165.2 32.82 Favored Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.035 -0.529 . . . . 50.0 113.52 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.236 0.372 0 CA-C-O 121.598 0.713 . . . . 75.0 112.536 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.277 0.473 . . . . 75.0 112.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -83.66 -15.82 47.44 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.118 0.414 . . . . 50.0 112.118 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -84.11 35.01 0.52 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.506 0.722 . . . . 75.0 111.248 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -45.76 125.52 6.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.043 0.937 . . . . 75.0 113.272 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -98.49 150.31 21.8 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.092 -0.958 . . . . 75.0 109.518 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.72 143.2 51.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.0 110.104 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -85.05 -168.95 2.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.652 -0.703 . . . . 50.0 111.754 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.86 -31.76 65.13 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.558 0.948 . . . . 75.0 113.558 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.95 -19.62 22.24 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.141 0.423 . . . . 50.0 112.141 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.24 18.89 12.35 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.427 -0.416 . . . . 50.0 113.384 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.56 145.92 26.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.189 -0.3 . . . . 75.0 110.189 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG2' HG21 ' A' ' 81' ' ' VAL . 47.4 tt0 -74.6 113.8 12.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.186 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.51 101.03 11.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.268 -0.878 . . . . 50.0 109.213 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 79' ' ' GLU . 84.7 t -94.14 127.66 43.95 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.323 -0.853 . . . . 50.0 111.848 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -63.55 131.53 32.01 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.914 2.41 . . . . 75.0 112.347 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 115.572 -0.74 . . . . 75.0 112.67 -170.716 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.3 m-70 . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 120.764 0.316 . . . . 75.0 110.688 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 66.2 ttp -102.08 140.31 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.087 -0.506 . . . . 75.0 110.933 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 59' ' ' MET . 90.9 m-85 -131.68 130.4 41.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.562 -0.744 . . . . 50.0 109.802 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.756 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 40.0 m -84.18 143.74 29.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.102 0.477 . . . . 75.0 111.301 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 23.7 m-85 -127.4 175.58 8.1 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.241 -0.89 . . . . 50.0 111.547 -173.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -123.82 -17.64 6.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.987 -0.551 . . . . 50.0 111.163 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.39 128.63 16.75 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.678 0.275 . . . . 75.0 110.839 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.637 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 7.1 ptm180 -61.4 -18.32 58.25 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.243 0.831 . . . . 75.0 113.243 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -74.9 -27.07 60.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.623 0.369 . . . . 25.0 111.452 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -82.22 -63.06 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.631 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 14.3 ptp -47.23 -29.49 2.42 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.328 1.051 . . . . 50.0 113.542 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -78.84 -35.2 44.38 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.097 0.248 . . . . 50.0 111.111 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.29 -32.14 58.6 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.568 0.543 . . . . 75.0 112.216 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.91 -54.0 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -51.52 -43.09 62.18 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.887 0.875 . . . . 75.0 112.051 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.49 -50.74 69.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.177 0.591 . . . . 75.0 111.544 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -62.16 -57.67 10.64 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.277 0.361 . . . . 25.0 110.119 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 HD21 HD11 ' A' ' 42' ' ' LEU . 75.9 mt -43.49 -59.39 2.17 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.947 0.899 . . . . 50.0 110.797 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.1 -30.68 11.57 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.23 1.012 . . . . 75.0 113.508 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.11 -20.67 28.34 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.2 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.29 -42.27 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.288 0.635 . . . . 75.0 111.657 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -69.16 -35.9 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 117.802 0.274 . . . . 50.0 110.769 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.5 p -63.93 -16.84 62.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.759 0.662 . . . . 50.0 111.533 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.61 -40.64 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.638 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -86.64 -3.23 59.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.321 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.449 -0.796 . . . . 50.0 109.934 177.792 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.855 0.36 . . . . 50.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -113.44 0.35 Allowed Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.415 -0.811 . . . . 75.0 111.956 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.1 128.35 12.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.614 0.366 . . . . 25.0 110.468 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.75 153.11 41.34 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -112.19 140.58 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.745 -0.661 . . . . 75.0 109.355 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -143.43 120.85 11.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.034 -0.53 . . . . 75.0 109.717 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 61.68 40.52 13.13 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.785 0.834 . . . . 75.0 112.086 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm 69.24 -3.98 1.41 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.59 1.156 . . . . 50.0 113.645 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.9 t -96.99 119.51 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.411 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -81.63 140.92 34.12 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.585 . . . . 75.0 111.518 -175.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -157.2 -156.19 7.8 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.116 -0.947 . . . . 75.0 112.96 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.8 mt -126.55 139.34 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.037 -0.582 . . . . 75.0 109.66 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.66 136.84 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.116 -0.493 . . . . 75.0 110.392 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.596 0.56 . . . . 25.0 111.006 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.14 140.98 17.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.99 0.9 . . . . 50.0 110.6 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.2 t-20 -109.66 100.09 9.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.166 -1.833 . . . . 50.0 110.76 -173.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.41 167.54 12.68 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.466 -0.568 . . . . 75.0 109.466 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 72.45 2.26 4.27 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.984 0.913 . . . . 50.0 110.589 -172.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.64 -173.25 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.666 -1.152 . . . . 50.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.63 160.32 81.29 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 105.134 -2.173 . . . . 50.0 105.134 170.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.04 130.05 4.39 Favored 'Trans proline' 0 C--N 1.376 2.008 0 CA-C-N 122.305 1.859 . . . . 50.0 113.549 -140.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -47.19 131.98 12.7 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 114.09 -1.414 . . . . 25.0 112.967 -167.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 26.3 pt-20 -128.35 140.58 51.78 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.025 -0.989 . . . . 75.0 113.172 -173.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.604 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 45.7 tp -96.82 104.95 17.0 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.814 -1.18 . . . . 75.0 107.814 -176.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.8 m -104.18 109.45 21.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.22 -1.355 . . . . 25.0 111.294 -169.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 87.9 t90 -84.95 135.77 33.9 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.695 -0.684 . . . . 50.0 109.432 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 mtp180 -128.27 151.08 49.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 75.0 109.807 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.67 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 95.7 p -69.32 159.17 33.62 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.94 -0.573 . . . . 50.0 109.461 173.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.66 -20.56 5.49 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -101.14 -31.31 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.383 0.427 . . . . 75.0 110.783 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 17.27 31.34 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.57 -0.741 . . . . 75.0 113.077 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -76.07 -28.89 57.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.121 -0.326 . . . . 75.0 110.121 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.67 ' H ' ' HG ' ' A' ' 31' ' ' SER . 59.6 mttp -105.3 139.09 40.46 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.698 -0.683 . . . . 75.0 109.458 173.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.08 131.29 5.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-O 120.902 0.382 . . . . 50.0 111.816 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.613 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.1 m-70 -123.62 145.44 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.49 -0.777 . . . . 50.0 109.42 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 128.52 43.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.604 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 95.0 t -114.08 107.54 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.732 -0.667 . . . . 50.0 110.562 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 44' ' ' THR . 90.3 t -79.52 117.98 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 174.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 HD21 ' A' ' 104' ' ' LEU . 2.3 mm? -75.86 -17.56 59.76 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.291 0.849 . . . . 75.0 113.291 -171.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 111' ' ' TYR . 59.5 p -69.37 -3.99 16.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.152 0.501 . . . . 50.0 110.438 174.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 70.3 p -115.6 -1.56 12.71 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.728 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.13 147.83 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.574 0.75 . . . . 75.0 109.962 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.95 -47.37 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.1 -0.5 . . . . 50.0 111.46 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.59 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 60.0 mttp -131.22 168.05 18.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.161 0.43 . . . . 75.0 112.161 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.57 129.22 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.625 -0.716 . . . . 50.0 109.245 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.805 ' HG3' HH21 ' A' ' 61' ' ' ARG . 91.5 mm-40 -127.29 114.85 18.15 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.65 0.241 . . . . 75.0 111.65 -175.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.05 150.49 31.94 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.275 0.472 . . . . 50.0 112.275 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 p -67.73 120.3 72.53 Favored Pre-proline 0 N--CA 1.477 0.906 0 CA-C-N 115.726 -0.67 . . . . 75.0 111.183 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.67 159.84 6.2 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.868 2.379 . . . . 75.0 113.141 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 1.006 ' HB3' ' HD2' ' A' ' 94' ' ' ARG . . . -72.59 -4.71 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.032 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -100.24 -17.87 17.13 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.608 -0.724 . . . . 75.0 111.04 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -69.58 140.29 53.77 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.253 0.621 . . . . 50.0 112.66 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -64.38 -14.77 58.34 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.173 -0.922 . . . . 50.0 112.154 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.9 150.03 20.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.673 -1.149 . . . . 75.0 112.902 -171.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.5 mmm -122.01 98.31 5.88 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.155 -0.929 . . . . 75.0 109.101 168.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 64.5 mtp -157.21 156.39 32.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.708 -0.678 . . . . 75.0 111.337 -175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.06 118.39 14.63 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.351 -0.841 . . . . 50.0 108.982 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.805 HH21 ' HG3' ' A' ' 49' ' ' GLN . 58.8 ttp180 -101.53 142.98 32.08 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.031 0.443 . . . . 75.0 111.609 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -124.0 108.63 12.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.158 -0.928 . . . . 50.0 110.094 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 61.7 mt -89.1 133.43 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.728 -0.669 . . . . 50.0 109.804 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.76 164.96 30.5 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.89 -0.595 . . . . 50.0 113.641 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.466 0.363 0 C-N-CA 122.971 0.508 . . . . 75.0 111.312 178.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 112.253 0.464 . . . . 75.0 112.253 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.5 p -76.9 -10.8 59.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.835 0.35 . . . . 50.0 111.604 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -94.5 37.67 1.12 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.583 -0.735 . . . . 75.0 110.688 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.04 121.15 2.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.096 0.959 . . . . 75.0 112.744 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -100.88 151.74 21.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.635 -1.166 . . . . 75.0 109.897 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.87 142.62 51.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.299 0.374 . . . . 75.0 110.301 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -84.35 -169.42 2.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.677 -0.692 . . . . 50.0 111.931 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.27 -31.5 63.67 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.44 0.904 . . . . 75.0 113.44 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.46 -20.81 23.44 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.003 0.372 . . . . 50.0 112.003 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.05 19.35 12.87 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.61 -0.328 . . . . 50.0 113.055 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -90.77 147.21 23.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 122.608 0.363 . . . . 75.0 110.173 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' HG22 ' A' ' 81' ' ' VAL . 38.0 tt0 -72.11 114.55 10.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.105 0.479 . . . . 75.0 111.636 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.29 101.21 11.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.176 -0.92 . . . . 50.0 109.253 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 79' ' ' GLU . 86.1 t -91.63 129.08 43.9 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 115.469 -0.787 . . . . 50.0 111.592 -172.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -59.59 134.3 57.09 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.163 2.575 . . . . 75.0 113.357 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.553 1.07 0 CA-C-N 115.124 -0.944 . . . . 75.0 111.727 -175.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.53 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m-70 . . . . . 0 N--CA 1.471 0.58 0 CA-C-O 120.665 0.269 . . . . 75.0 110.555 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.89 139.1 37.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.898 0.38 . . . . 75.0 111.376 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -130.65 129.6 42.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.372 -0.831 . . . . 50.0 109.757 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.703 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -84.41 144.7 28.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.96 0.41 . . . . 75.0 111.234 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -128.13 176.23 7.81 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.413 -0.812 . . . . 50.0 111.741 -173.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -122.31 -17.65 7.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.963 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -141.49 143.5 33.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.955 0.407 . . . . 75.0 111.13 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 1.006 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 2.4 ttt180 -75.21 -28.07 59.83 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.439 -0.801 . . . . 75.0 112.092 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -71.05 -22.03 62.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.391 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.0 t -80.58 -62.68 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.269 -0.641 . . . . 50.0 109.269 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptp -46.11 -40.91 11.63 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.781 0.66 . . . . 50.0 112.781 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -69.53 -31.28 69.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.53 0.519 . . . . 50.0 111.779 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.43 -33.18 28.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.249 0.463 . . . . 75.0 112.249 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mm -69.3 -52.63 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.805 -0.813 . . . . 50.0 108.805 172.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -53.96 -43.11 69.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.787 0.835 . . . . 75.0 111.827 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 ttp -53.34 -51.87 61.04 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.15 0.58 . . . . 75.0 111.497 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.3 m -59.88 -59.87 4.74 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.395 0.434 . . . . 25.0 109.959 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 27' ' ' LEU . 98.8 mt -43.1 -59.47 2.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.311 1.045 . . . . 50.0 111.066 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -49.26 -33.92 13.99 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.115 0.966 . . . . 75.0 113.421 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -81.6 -19.86 41.0 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.07 -0.514 . . . . 75.0 111.182 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 95.8 mt -85.12 -42.53 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.638 0.775 . . . . 75.0 112.068 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.24 -50.37 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 111.884 0.328 . . . . 50.0 111.884 -173.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.5 p -65.46 -16.11 63.32 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.587 0.588 . . . . 50.0 112.587 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.57 -43.22 94.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 120.994 0.426 . . . . 50.0 110.808 169.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 51.4 m-85 -76.95 -11.17 59.77 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.046 -0.979 . . . . 50.0 112.271 174.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.2 tptp . . . . . 0 N--CA 1.472 0.657 0 CA-C-N 116.037 -0.529 . . . . 75.0 111.17 176.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.7 p . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.985 0.422 . . . . 50.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.66 -117.47 0.66 Allowed Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.12 -0.946 . . . . 75.0 112.07 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.35 125.95 11.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.722 0.409 . . . . 25.0 110.246 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.83 154.6 44.33 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -176.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.72 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 83.8 mt -112.51 137.87 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.63 -0.714 . . . . 75.0 109.329 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -143.71 122.69 12.8 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.708 -0.678 . . . . 75.0 109.512 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 62.49 39.01 12.2 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.735 0.814 . . . . 75.0 112.023 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 69.49 -6.18 1.03 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.636 1.174 . . . . 75.0 113.291 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.74 121.81 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 t -81.71 141.28 33.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.545 -175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.37 -157.09 8.28 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.358 -0.837 . . . . 75.0 113.311 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.76 140.02 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -0.61 . . . . 75.0 109.635 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.48 HD11 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.51 138.36 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.225 -0.443 . . . . 75.0 110.671 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.21 43.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.359 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.2 mt -104.37 134.07 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.114 0.483 . . . . 75.0 109.898 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -104.94 106.29 16.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.001 -0.999 . . . . 50.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -121.07 167.95 12.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.817 -0.629 . . . . 75.0 109.426 174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 71.07 3.09 4.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.822 0.849 . . . . 50.0 111.754 -171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.6 -172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.332 -1.303 . . . . 50.0 109.808 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -73.19 163.92 64.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.027 -1.842 . . . . 75.0 106.027 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.45 129.5 3.52 Favored 'Trans proline' 0 C--N 1.373 1.865 0 CA-C-N 122.098 1.785 . . . . 50.0 113.426 -142.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.86 141.09 13.92 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.219 -1.355 . . . . 25.0 113.188 -165.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -125.27 172.42 9.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.81 -1.541 . . . . 75.0 111.386 -166.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.61 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -129.08 108.22 10.21 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.254 -1.017 . . . . 75.0 108.254 173.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -107.21 111.66 24.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.252 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -86.6 137.96 32.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.665 -0.698 . . . . 50.0 109.671 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 73.5 mtp180 -128.09 154.97 45.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.244 -0.889 . . . . 75.0 109.899 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.653 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 88.0 p -72.49 159.78 33.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.85 -20.79 6.37 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.705 1.002 . . . . 25.0 113.705 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -101.28 -31.59 10.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.351 0.407 . . . . 50.0 110.286 171.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 17.69 28.84 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 115.45 -0.796 . . . . 75.0 113.319 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.44 -30.18 61.79 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 122.79 0.436 . . . . 50.0 110.622 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.653 ' H ' ' HG ' ' A' ' 31' ' ' SER . 16.4 mttp -103.76 137.69 41.43 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.562 -0.744 . . . . 75.0 109.292 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.17 135.92 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 120.864 0.364 . . . . 50.0 111.807 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.53 145.47 51.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.602 -0.727 . . . . 50.0 109.488 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.36 128.89 43.99 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.001 0.429 . . . . 25.0 111.994 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.61 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.7 t -112.17 108.26 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 115.247 -0.888 . . . . 50.0 110.06 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.4 t -81.69 123.1 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.432 -0.951 . . . . 50.0 108.432 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.24 -21.86 58.3 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.985 1.106 . . . . 75.0 113.985 -171.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.99 -9.68 47.5 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.877 0.37 . . . . 50.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -115.23 14.09 16.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.592 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.4 mm -111.29 142.23 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.17 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -109.49 -52.93 2.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.657 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -131.57 174.5 10.04 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 122.577 0.351 . . . . 75.0 110.864 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.22 132.95 14.93 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.022 -0.733 . . . . 50.0 109.022 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -129.7 114.58 16.16 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.949 0.352 . . . . 75.0 111.949 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.04 154.25 30.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.837 0.681 . . . . 75.0 112.837 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.23 122.86 88.54 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.71 166.36 8.37 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.884 2.389 . . . . 75.0 113.216 173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.79 -10.2 59.29 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.205 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.4 -8.63 29.02 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.205 -0.452 . . . . 50.0 110.814 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -77.97 142.03 38.58 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 121.464 0.65 . . . . 50.0 112.733 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.593 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 7.4 mp0 -60.52 -23.66 64.74 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.434 -1.257 . . . . 50.0 112.285 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.6 154.51 17.18 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.338 -1.301 . . . . 75.0 113.178 -169.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.9 mtm -126.04 97.58 5.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.035 -0.984 . . . . 75.0 108.789 168.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -156.24 157.46 35.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 115.761 -0.654 . . . . 75.0 111.614 -173.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.0 tp -138.19 118.54 13.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.188 -0.915 . . . . 50.0 108.891 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -99.96 144.75 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.059 0.457 . . . . 75.0 110.683 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -123.82 102.32 7.74 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.186 -0.915 . . . . 50.0 109.705 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.4 mt -85.14 131.33 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 115.126 -0.943 . . . . 50.0 109.543 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.01 163.7 26.96 Favored Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.617 -0.72 . . . . 50.0 114.12 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.236 0.369 0 CA-C-N 115.16 -0.52 . . . . 75.0 111.14 176.849 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.341 0.867 . . . . 75.0 113.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.9 p -79.02 0.53 27.36 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.559 0.344 . . . . 50.0 111.657 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.43 29.9 1.21 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.135 0.574 . . . . 75.0 111.173 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -46.73 119.05 2.27 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.065 0.946 . . . . 75.0 112.869 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -103.48 155.26 18.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.141 -0.936 . . . . 50.0 110.093 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.07 144.33 51.05 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.748 0.309 . . . . 75.0 110.203 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.74 -168.91 2.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 50.0 111.815 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.89 -31.53 64.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.375 0.88 . . . . 75.0 113.375 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.01 -20.19 24.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.032 0.382 . . . . 50.0 112.032 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.74 19.52 17.4 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 123.284 0.365 . . . . 50.0 113.022 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -90.26 146.53 24.16 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.725 0.41 . . . . 75.0 110.083 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.5 tt0 -72.4 115.13 11.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.045 0.45 . . . . 75.0 111.656 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.05 101.09 11.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.118 -0.946 . . . . 50.0 109.31 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 79' ' ' GLU . 83.4 t -93.45 129.33 39.1 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.497 -0.774 . . . . 50.0 111.743 -172.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -67.63 143.29 61.69 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.888 2.392 . . . . 75.0 112.669 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.55 0.948 0 CA-C-N 115.554 -0.748 . . . . 75.0 111.948 -175.227 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.54 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 92.9 m-70 . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.469 0.176 . . . . 75.0 111.197 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.6 mtp -96.66 149.7 21.51 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.786 0.326 . . . . 75.0 111.086 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' MET . 93.1 m-85 -140.44 126.35 19.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.768 -0.651 . . . . 50.0 109.455 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.72 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.61 144.26 29.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.908 0.385 . . . . 75.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -128.36 176.06 8.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.544 -0.753 . . . . 50.0 111.931 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.0 -15.46 7.33 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.68 -0.691 . . . . 50.0 110.91 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -143.41 143.92 31.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.854 0.462 . . . . 75.0 110.938 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -80.48 -21.19 42.25 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.835 0.68 . . . . 75.0 112.835 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 p -76.62 -22.77 53.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.149 0.18 . . . . 25.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.94 -62.82 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -47.86 -38.83 17.03 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.118 0.567 . . . . 50.0 112.271 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.73 -20.77 61.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.596 0.591 . . . . 75.0 112.596 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.76 -30.91 21.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.533 0.333 . . . . 75.0 111.627 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.5 mm -76.08 -55.5 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 173.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -51.54 -43.87 62.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.255 1.022 . . . . 75.0 112.578 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 ttp -54.77 -56.1 22.97 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.342 0.401 . . . . 50.0 111.475 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -55.47 -58.18 8.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.33 0.394 . . . . 25.0 110.054 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.502 HD23 HD11 ' A' ' 27' ' ' LEU . 96.0 mt -43.82 -60.62 1.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.71 0.804 . . . . 50.0 110.668 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -52.02 -29.23 20.05 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.968 0.907 . . . . 75.0 113.326 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.32 -20.12 28.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.882 0.473 . . . . 75.0 111.028 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.45 -42.55 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.42 0.688 . . . . 75.0 111.558 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.39 -35.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.142 0.177 . . . . 50.0 111.12 -177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.23 -17.4 58.22 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.634 0.584 . . . . 50.0 111.666 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -80.18 -42.53 23.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.551 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -81.68 0.14 40.11 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.613 -0.721 . . . . 50.0 111.34 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.3 tttm . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 115.487 -0.779 . . . . 50.0 110.215 179.691 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 42.8 t . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.656 0.613 . . . . 75.0 112.656 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.48 -112.09 0.32 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.721 -1.127 . . . . 75.0 111.69 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.79 128.02 9.82 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.805 0.442 . . . . 25.0 110.339 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -145.91 154.79 42.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.741 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 98.3 mt -111.7 140.81 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.556 -0.747 . . . . 75.0 109.299 175.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CD2' ' CD2' ' A' ' 38' ' ' HIS . 80.1 t80 -143.43 121.59 12.2 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.672 -0.492 . . . . 75.0 109.672 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 61.74 40.55 12.91 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.784 0.833 . . . . 75.0 111.971 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 69.84 -5.15 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.547 1.139 . . . . 50.0 113.488 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.6 t -97.1 122.79 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.457 ' HA ' HG12 ' A' ' 8' ' ' ILE . 43.3 t -83.08 141.48 31.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.049 -0.523 . . . . 75.0 111.571 -174.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.11 -155.89 7.75 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.186 -0.915 . . . . 75.0 113.01 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.04 140.88 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.085 -0.558 . . . . 75.0 109.526 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.89 137.01 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.574 -178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.45 146.03 43.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.226 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -106.49 130.9 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.103 0.478 . . . . 75.0 110.658 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.49 108.08 20.68 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.9 -1.045 . . . . 50.0 111.122 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.3 mt-10 -121.83 168.39 11.91 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.319 -0.623 . . . . 75.0 109.319 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 70.0 m-20 71.09 3.85 4.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.706 0.802 . . . . 50.0 111.69 -172.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -101.46 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 114.28 -1.327 . . . . 50.0 110.117 176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.1 p -74.04 160.91 80.61 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 105.271 -2.122 . . . . 50.0 105.271 171.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.78 130.17 2.76 Favored 'Trans proline' 0 C--N 1.373 1.841 0 CA-C-N 122.288 1.853 . . . . 50.0 113.884 -139.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.38 140.52 10.14 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.935 -1.484 . . . . 25.0 113.293 -167.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.02 171.08 10.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 113.734 -1.575 . . . . 75.0 111.199 -168.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 50.7 tp -127.73 109.09 11.31 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.038 -1.097 . . . . 75.0 108.038 174.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -108.58 111.95 24.05 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.264 -171.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -86.55 136.54 33.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.571 -0.741 . . . . 50.0 109.533 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 54.9 mtp180 -128.22 151.2 49.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 75.0 109.711 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.8 p -69.96 158.9 34.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.877 -0.602 . . . . 50.0 109.394 172.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -53.87 -20.12 5.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -101.15 -31.3 11.11 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.379 0.425 . . . . 50.0 110.386 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 17.23 33.11 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.677 -0.692 . . . . 75.0 112.97 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -76.2 -28.48 57.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.593 0.357 . . . . 75.0 110.098 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.696 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.0 mttp -106.11 137.57 43.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.65 -0.704 . . . . 75.0 109.405 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.02 134.32 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 120.82 0.343 . . . . 50.0 111.725 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 9' ' ' PHE . 95.2 m-70 -129.17 146.2 51.15 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.653 -0.703 . . . . 50.0 109.663 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -129.22 129.82 45.5 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.982 0.42 . . . . 25.0 112.007 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.613 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.1 t -113.77 107.62 23.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.254 -0.884 . . . . 50.0 109.958 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.5 122.14 36.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 108.489 -0.93 . . . . 50.0 108.489 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 104' ' ' LEU . 2.2 mm? -76.82 -20.12 56.74 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.951 1.093 . . . . 75.0 113.951 -171.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -69.78 -3.55 16.05 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.198 0.523 . . . . 50.0 110.477 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -115.28 5.43 14.69 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.203 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.3 mm -112.76 137.91 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.527 -0.76 . . . . 75.0 109.698 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.88 -43.2 4.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 50.0 111.399 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.59 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 64.1 mttp -133.37 169.14 17.37 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.96 133.43 15.53 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -134.89 125.11 26.1 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.635 0.198 . . . . 75.0 110.787 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.5 144.1 45.39 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.6 p -62.63 125.32 85.91 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 123.677 0.791 . . . . 75.0 111.674 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.17 166.23 9.4 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.774 2.316 . . . . 75.0 113.344 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -71.8 -13.68 61.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.381 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -97.42 -8.37 29.57 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.502 0.502 . . . . 50.0 111.057 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.7 t -77.7 137.47 38.52 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 112.716 0.635 . . . . 50.0 112.716 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.4 mp0 -58.92 -22.13 59.14 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.829 -1.078 . . . . 50.0 111.665 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -92.65 141.01 28.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.422 -1.263 . . . . 75.0 112.044 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -117.36 96.78 5.57 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.812 -0.81 . . . . 75.0 108.812 167.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 61.5 mtm -154.48 153.95 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 75.0 112.332 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.91 120.16 23.2 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.981 -1.009 . . . . 50.0 109.356 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -100.79 145.51 28.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.1 0.476 . . . . 75.0 111.902 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -127.88 109.73 11.89 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.975 -1.012 . . . . 50.0 110.171 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -88.76 132.88 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.721 -0.672 . . . . 50.0 110.087 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.89 162.19 33.89 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 116.075 -0.511 . . . . 50.0 113.823 -175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.401 0.619 . . . . 75.0 112.241 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 112.212 0.449 . . . . 75.0 112.212 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -76.47 -6.06 50.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.54 0.336 . . . . 50.0 111.627 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -91.98 33.54 1.05 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.541 0.686 . . . . 50.0 110.8 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -46.02 128.35 9.15 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.84 1.256 . . . . 75.0 113.118 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 mtp-105 -110.27 145.13 37.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.685 -0.688 . . . . 75.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.64 138.56 53.92 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.514 -0.55 . . . . 75.0 109.514 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -78.99 -171.32 2.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.376 0.51 . . . . 50.0 112.376 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.18 -32.05 63.98 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.728 1.011 . . . . 75.0 113.728 -174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.87 -12.81 37.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.91 20.58 25.76 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 116.235 -0.439 . . . . 50.0 112.912 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.42 148.05 24.4 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.521 0.328 . . . . 75.0 110.309 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG2' HG22 ' A' ' 81' ' ' VAL . 44.6 tt0 -71.64 120.51 17.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.938 -0.574 . . . . 50.0 111.329 -175.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.64 99.6 5.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.348 -0.842 . . . . 50.0 108.783 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 79' ' ' GLU . 59.4 t -100.01 126.04 37.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 115.381 -0.827 . . . . 50.0 111.385 -171.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.1 124.63 12.42 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.986 2.457 . . . . 75.0 112.683 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 CA--C 1.552 1.029 0 CA-C-N 115.076 -0.966 . . . . 75.0 112.43 -174.017 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 110.235 -0.283 . . . . 75.0 110.235 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.9 mtm -102.64 139.75 37.81 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.342 0.592 . . . . 75.0 111.402 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.7 m-85 -119.65 164.35 16.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.48 -1.236 . . . . 50.0 108.481 173.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.741 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 42.5 m -121.37 139.66 53.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.203 0.525 . . . . 75.0 111.182 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.87 176.55 6.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.942 -1.026 . . . . 50.0 111.942 -170.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.84 -18.18 6.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.773 -0.649 . . . . 50.0 110.998 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.479 ' CG ' ' HG1' ' A' ' 95' ' ' THR . 52.3 t-20 -140.45 143.79 35.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.671 0.388 . . . . 75.0 111.096 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 52.0 ptt85 -79.21 -18.41 53.0 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.617 0.599 . . . . 75.0 112.617 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.479 ' HG1' ' CG ' ' A' ' 93' ' ' ASN . 75.3 p -75.65 -27.12 58.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.093 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.38 -60.55 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.6 ptp -47.79 -40.72 21.71 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.658 0.614 . . . . 50.0 112.658 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.75 -20.85 61.82 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.306 0.379 . . . . 50.0 111.868 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.74 -28.49 23.02 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.516 0.327 . . . . 75.0 111.591 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -79.58 -54.41 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 N-CA-C 109.113 -0.699 . . . . 50.0 109.113 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -50.52 -41.91 54.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.193 0.997 . . . . 75.0 112.412 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.09 -59.08 5.62 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.344 0.403 . . . . 50.0 111.212 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.4 m -51.19 -58.94 4.83 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 110.035 -0.357 . . . . 25.0 110.035 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD22 HD12 ' A' ' 27' ' ' LEU . 96.0 mt -43.2 -59.24 2.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.917 0.887 . . . . 50.0 110.698 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -55.15 -31.3 61.22 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.964 0.727 . . . . 75.0 112.964 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -78.47 -21.12 49.49 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.518 0.327 . . . . 75.0 111.335 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 94.4 mt -85.32 -42.61 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.37 0.668 . . . . 75.0 111.706 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.41 -35.45 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.226 0.21 . . . . 50.0 111.252 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.447 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.6 p -62.4 -19.32 63.31 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.672 0.607 . . . . 75.0 111.818 175.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.41 -43.36 32.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.046 -0.525 . . . . 50.0 111.077 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -82.03 -1.97 50.13 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.273 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 24.1 tptp . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.252 -0.885 . . . . 75.0 110.103 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 78.9 p . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.988 0.423 . . . . 50.0 111.216 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -116.4 0.55 Allowed Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.124 -0.944 . . . . 75.0 111.865 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.18 126.38 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.642 0.377 . . . . 25.0 110.337 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 152.59 42.22 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 72.3 mt -110.02 140.21 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.972 -0.558 . . . . 75.0 109.853 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 27.3 t80 -145.65 126.78 14.7 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.855 -0.611 . . . . 75.0 109.745 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 9' ' ' PHE . 6.5 pt-20 59.02 38.16 24.23 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.812 0.845 . . . . 75.0 111.981 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 68.66 -2.31 1.7 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.542 1.137 . . . . 75.0 113.043 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.546 HG12 ' HD2' ' A' ' 36' ' ' LYS . 58.5 t -92.48 121.31 42.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 108.629 -0.878 . . . . 75.0 108.629 172.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.6 t -80.8 137.31 36.22 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.165 -0.47 . . . . 50.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.31 -158.61 8.75 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.492 -0.776 . . . . 75.0 113.268 -174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.83 138.46 54.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.778 -0.711 . . . . 75.0 109.627 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.547 HG23 HD13 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -103.3 137.72 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.116 -0.493 . . . . 75.0 110.437 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.15 146.31 44.84 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.426 0.454 . . . . 25.0 111.273 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.2 mt -104.01 131.15 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.313 0.578 . . . . 75.0 110.64 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -98.45 106.51 18.8 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.572 -1.195 . . . . 50.0 111.158 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -122.97 167.83 13.09 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.99 -0.744 . . . . 75.0 108.99 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 72.67 2.82 4.49 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.816 0.846 . . . . 50.0 110.592 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -102.97 -172.54 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.665 -1.152 . . . . 50.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.2 p -73.69 158.89 85.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.47 130.55 2.51 Favored 'Trans proline' 0 C--N 1.375 1.929 0 CA-C-N 122.11 1.789 . . . . 50.0 113.913 -139.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.21 138.24 12.74 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.24 -166.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.45 171.84 9.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.494 -1.685 . . . . 75.0 110.763 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD13 HG23 ' A' ' 16' ' ' ILE . 1.7 tp -123.25 121.94 37.14 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.45 -0.945 . . . . 75.0 108.45 166.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.19 108.21 16.66 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.365 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' HD1' HG13 ' A' ' 16' ' ' ILE . 91.0 t90 -84.83 135.03 34.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.665 -0.698 . . . . 50.0 109.612 171.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -128.12 150.04 50.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.347 -0.842 . . . . 75.0 109.437 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.689 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.78 164.41 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.136 -0.459 . . . . 50.0 110.028 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.1 m -53.43 -26.8 21.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -97.98 -30.78 12.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.309 -0.405 . . . . 50.0 111.223 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.42 32.11 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 116.106 -0.497 . . . . 75.0 113.924 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -79.09 -27.83 43.01 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.891 -0.411 . . . . 75.0 109.891 173.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.689 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 31.2 mttp -101.39 131.58 47.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.523 -0.762 . . . . 75.0 109.08 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 134.11 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-O 120.858 0.361 . . . . 50.0 111.535 -175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -129.0 148.37 50.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.641 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.58 140.09 51.96 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.131 0.491 . . . . 25.0 111.603 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 62' ' ' LEU . 46.7 t -127.3 107.54 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.618 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.0 t -82.68 120.87 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.74 -20.85 59.66 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.458 0.91 . . . . 75.0 113.458 -171.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -68.29 -5.18 17.18 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.196 0.522 . . . . 50.0 110.442 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.38 7.33 15.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.891 -1.05 . . . . 25.0 110.179 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -113.5 142.61 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.561 -0.745 . . . . 75.0 109.874 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -112.24 -45.8 3.25 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.687 -0.688 . . . . 50.0 111.558 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.595 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 22.8 mttp -132.64 169.94 15.92 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.737 0.643 . . . . 75.0 112.737 -177.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -149.52 131.88 15.61 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 178.029 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -131.66 115.29 15.86 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 111.884 0.327 . . . . 75.0 111.884 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.63 31.19 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.836 0.68 . . . . 75.0 112.836 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.704 ' CG2' ' HG2' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.84 126.9 92.21 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 123.505 0.722 . . . . 50.0 111.836 -177.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 165.55 11.08 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.815 2.343 . . . . 75.0 113.132 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -7.81 55.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.202 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -96.47 -16.35 21.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.01 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.6 141.02 50.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.566 -0.743 . . . . 50.0 112.906 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.08 -19.9 66.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.742 -1.117 . . . . 50.0 111.674 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.542 ' CB ' HG21 ' A' ' 51' ' ' THR . 68.6 mttt -93.81 154.67 17.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.653 -1.158 . . . . 50.0 112.937 -172.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' SER . 58.4 mtm -127.2 98.43 5.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.962 -1.017 . . . . 75.0 108.859 169.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.704 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 25.5 ptm -155.36 156.71 35.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.127 -0.488 . . . . 50.0 112.167 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -139.89 118.82 12.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.202 -0.908 . . . . 50.0 109.126 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -100.22 146.37 26.96 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.896 0.379 . . . . 75.0 111.011 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -128.21 104.86 7.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.363 -0.835 . . . . 50.0 109.883 179.031 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 25.4 mt -84.98 135.28 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.798 -0.637 . . . . 50.0 110.078 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.63 163.7 28.67 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.739 -0.664 . . . . 50.0 113.789 -174.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.514 0.673 . . . . 75.0 112.06 178.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 120.662 0.268 . . . . 75.0 111.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -71.45 -13.04 61.7 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.064 -0.517 . . . . 50.0 111.092 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.12 141.6 28.64 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.983 -0.553 . . . . 75.0 110.581 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -99.74 131.95 45.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.803 -1.09 . . . . 75.0 111.935 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.545 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 77.9 ttt-85 -123.19 137.39 54.9 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.909 -0.775 . . . . 75.0 108.909 169.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -119.71 135.06 54.99 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.805 -0.442 . . . . 75.0 109.805 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.978 ' CB ' ' OE2' ' A' ' 76' ' ' GLU . 36.2 m-20 -78.93 -179.49 6.65 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.866 -0.606 . . . . 50.0 110.706 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.05 -32.47 61.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.144 0.794 . . . . 75.0 113.144 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.978 ' OE2' ' CB ' ' A' ' 74' ' ' ASP . 1.3 pm0 -73.92 -21.85 59.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.178 0.436 . . . . 50.0 112.178 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.6 14.86 42.34 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 116.161 -0.472 . . . . 50.0 112.781 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.459 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 63.8 t30 -80.91 150.31 29.08 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.637 0.375 . . . . 75.0 110.696 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -76.49 105.66 7.67 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.192 0.52 . . . . 50.0 110.227 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 80' ' ' VAL . 8.3 p -116.08 98.91 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.109 -0.951 . . . . 50.0 109.034 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.44 121.38 70.25 Favored Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 115.373 -0.831 . . . . 50.0 110.713 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.99 130.71 31.85 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.079 2.519 . . . . 75.0 114.211 -171.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 114.439 -1.255 . . . . 75.0 112.738 -176.161 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 97.3 m-70 . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 120.436 0.16 . . . . 75.0 111.262 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.6 mtm -96.34 149.24 21.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.671 0.272 . . . . 75.0 110.791 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 59' ' ' MET . 92.2 m-85 -140.61 125.45 18.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.997 -0.547 . . . . 50.0 109.629 175.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.738 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.54 144.35 29.56 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.951 0.405 . . . . 75.0 111.138 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -127.77 176.45 7.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.811 -173.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.41 -18.89 7.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.739 -0.664 . . . . 50.0 110.858 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -140.65 143.48 35.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.728 0.411 . . . . 75.0 111.075 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HA ' ' HE3' ' A' ' 97' ' ' MET . 8.5 mpt_? -79.08 -18.15 53.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.642 0.608 . . . . 75.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.38 -21.58 55.87 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.221 0.325 . . . . 25.0 111.348 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.03 -62.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.411 -0.589 . . . . 50.0 109.411 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 94' ' ' ARG . 24.0 ptp -46.39 -39.94 11.23 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.57 -24.63 61.95 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.498 0.499 . . . . 50.0 111.611 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -87.05 -32.29 20.07 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.454 0.471 . . . . 75.0 111.901 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.56 -54.04 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 172.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.18 -43.09 61.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.278 1.031 . . . . 75.0 112.145 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.1 ttp -54.63 -52.29 62.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.222 0.609 . . . . 75.0 111.697 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -60.13 -58.26 9.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.3 mt -43.67 -59.47 2.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.11 0.964 . . . . 50.0 110.884 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -50.15 -32.16 15.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.158 0.983 . . . . 75.0 113.44 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.93 -20.42 32.99 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.252 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.59 -41.12 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.355 0.662 . . . . 75.0 111.561 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.26 -35.52 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 120.521 0.2 . . . . 50.0 110.878 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.6 p -64.88 -16.96 63.87 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.809 -0.632 . . . . 50.0 111.565 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.76 -39.76 35.21 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.616 173.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -87.55 -0.82 57.39 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.989 -0.551 . . . . 50.0 111.228 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 29.2 tptp . . . . . 0 CA--C 1.535 0.394 0 CA-C-N 115.423 -0.808 . . . . 75.0 110.008 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.992 0.425 . . . . 50.0 111.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 15' ' ' ILE . . . -159.48 -117.93 0.49 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.225 -0.898 . . . . 75.0 112.192 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 127.62 13.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.657 0.383 . . . . 25.0 110.297 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.77 42.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.766 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 68.5 mt -113.83 139.32 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.676 -0.693 . . . . 75.0 109.444 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -143.79 116.88 8.9 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.854 -0.612 . . . . 75.0 109.81 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 63.17 42.59 7.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.908 0.883 . . . . 75.0 112.037 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.67 -8.49 0.91 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.77 1.228 . . . . 75.0 113.762 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 1.014 HG23 ' HZ2' ' A' ' 36' ' ' LYS . 94.4 t -93.07 118.64 39.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.17 -0.678 . . . . 50.0 109.17 173.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -81.19 138.97 35.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 50.0 111.406 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.06 -158.91 8.98 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.299 -0.864 . . . . 75.0 113.31 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 5' ' ' GLY . 91.7 mt -126.18 137.03 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 114.927 -0.636 . . . . 75.0 109.559 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.488 HD13 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.96 138.82 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.734 -177.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.19 145.89 44.23 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.098 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.5 mt -103.18 131.9 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.264 0.554 . . . . 75.0 110.236 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . 2.0 t-20 -100.23 107.15 18.91 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.737 -1.119 . . . . 50.0 111.375 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -123.98 167.57 13.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.614 -0.721 . . . . 75.0 109.107 173.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 72.86 2.72 4.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.855 0.862 . . . . 50.0 110.56 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.99 -172.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 114.591 -1.186 . . . . 50.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -73.6 160.68 81.66 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 105.373 -2.084 . . . . 50.0 105.373 172.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -40.95 130.02 2.89 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 122.262 1.844 . . . . 50.0 113.555 -140.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.21 17.61 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.121 -1.399 . . . . 25.0 113.14 -165.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -123.93 172.03 9.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 113.537 -1.665 . . . . 75.0 111.116 -168.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.601 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -126.97 109.64 12.14 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.007 -1.109 . . . . 75.0 108.007 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -109.63 114.43 28.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.135 -170.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 83.4 t90 -92.43 127.58 37.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.579 -0.737 . . . . 50.0 110.425 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -111.36 162.7 14.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.151 -0.931 . . . . 75.0 110.993 170.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.7 p -76.4 172.57 12.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.373 -0.83 . . . . 50.0 108.995 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.6 m -56.98 -28.74 62.63 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 118.817 0.735 . . . . 25.0 112.433 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.2 -27.07 13.7 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.173 -0.467 . . . . 50.0 110.027 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . 96.14 18.39 31.63 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.608 -0.724 . . . . 75.0 113.505 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -66.72 -27.64 67.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.642 0.377 . . . . 75.0 110.515 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 1.014 ' HZ2' HG23 ' A' ' 12' ' ' VAL . 90.3 mttt -109.86 135.41 50.8 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.718 -0.673 . . . . 75.0 109.196 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 45.6 t -144.64 131.51 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 120.665 0.269 . . . . 50.0 111.455 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -125.71 148.41 49.05 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.864 -0.607 . . . . 50.0 109.491 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.35 127.65 41.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.907 0.384 . . . . 25.0 111.844 -175.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.9 t -112.24 107.16 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.455 -0.793 . . . . 50.0 110.13 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' O ' ' OG1' ' A' ' 44' ' ' THR . 81.5 t -81.74 120.9 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.604 -0.888 . . . . 50.0 108.604 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD11 HD21 ' A' ' 104' ' ' LEU . 2.8 mm? -73.76 -22.99 59.67 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.905 1.076 . . . . 75.0 113.905 -171.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -68.3 -2.26 7.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.072 0.463 . . . . 75.0 111.052 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 56.4 p -115.24 3.83 14.36 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.198 -0.91 . . . . 25.0 110.127 176.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -112.22 141.94 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 115.365 -0.834 . . . . 75.0 109.772 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -109.97 -47.62 3.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.995 -0.548 . . . . 50.0 111.535 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HB2' HD13 ' A' ' 63' ' ' ILE . 99.7 mttt -133.16 175.0 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 120.774 0.321 . . . . 75.0 111.79 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.03 131.01 14.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -129.13 113.89 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.668 0.27 . . . . 75.0 111.625 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' A' ' 60' ' ' LEU . . . -113.42 153.35 28.76 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.538 0.57 . . . . 75.0 112.538 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.695 HG21 ' HG2' ' A' ' 59' ' ' MET . 1.1 p -70.82 122.12 85.87 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 115.84 -0.618 . . . . 75.0 111.621 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.93 163.21 11.83 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.657 2.238 . . . . 75.0 112.853 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 -9.0 58.12 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.682 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -92.95 -18.3 22.91 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 50.0 111.031 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -74.34 138.75 43.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.849 -0.614 . . . . 50.0 112.201 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -64.01 -17.96 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.085 -0.961 . . . . 50.0 111.95 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' CB ' HG23 ' A' ' 51' ' ' THR . 63.6 mttm -94.43 156.14 16.62 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.542 -1.208 . . . . 50.0 113.119 -171.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.1 mtm -127.04 99.05 5.55 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.821 -1.082 . . . . 75.0 109.238 170.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.695 ' HG2' HG21 ' A' ' 51' ' ' THR . 3.4 ptm -155.69 155.02 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.949 -0.569 . . . . 50.0 111.605 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 50' ' ' ALA . 16.5 tp -136.58 118.56 15.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.375 -0.829 . . . . 50.0 109.031 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -101.68 147.32 26.59 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.222 0.534 . . . . 75.0 111.927 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.6 mm? -128.4 104.01 7.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.838 -1.074 . . . . 50.0 109.919 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' A' ' 47' ' ' LYS . 81.7 mt -85.61 137.77 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.158 -0.473 . . . . 50.0 109.933 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.27 165.65 30.29 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.788 -0.642 . . . . 50.0 113.771 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.236 0.384 0 C-N-CA 123.2 0.6 . . . . 75.0 111.728 178.828 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.452 0.908 . . . . 75.0 113.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -76.41 -3.99 39.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.6 0.36 . . . . 50.0 111.471 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -89.71 27.56 1.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.961 0.504 . . . . 75.0 111.098 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.9 125.76 7.87 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.354 0.872 . . . . 75.0 113.354 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -107.04 151.44 25.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.731 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.07 140.01 52.59 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.722 -0.473 . . . . 75.0 109.722 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.6 p30 -80.92 -170.74 2.83 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.994 -0.548 . . . . 50.0 112.256 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -55.8 -32.19 63.3 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.978 1.103 . . . . 75.0 113.978 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.13 -18.4 23.59 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.118 0.414 . . . . 50.0 112.118 -176.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.08 22.88 8.46 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.543 -0.36 . . . . 50.0 113.124 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -89.43 148.12 23.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.074 -0.343 . . . . 75.0 110.074 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.489 ' HG2' HG22 ' A' ' 81' ' ' VAL . 87.6 tt0 -73.97 117.58 15.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.095 -0.502 . . . . 50.0 111.381 -174.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -124.44 99.85 6.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.212 -0.904 . . . . 50.0 109.187 173.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 79' ' ' GLU . 50.4 t -98.47 124.88 45.01 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.326 -0.852 . . . . 50.0 110.696 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.64 135.06 43.59 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.758 2.306 . . . . 75.0 113.278 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 CA--C 1.538 0.5 0 CA-C-N 114.617 -1.174 . . . . 75.0 111.756 -175.47 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.5 m-70 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.844 0.354 . . . . 75.0 110.602 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 74.1 mtm -106.95 136.51 46.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.972 -0.558 . . . . 75.0 111.003 -174.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.0 m-85 -126.4 130.16 50.19 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.309 -0.86 . . . . 50.0 109.976 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.766 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 39.9 m -83.89 142.7 30.39 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.988 0.423 . . . . 75.0 111.297 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.76 176.45 6.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.412 -0.813 . . . . 50.0 111.751 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -122.42 -17.57 7.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.743 -0.662 . . . . 75.0 111.874 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.31 143.45 32.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.592 0.357 . . . . 75.0 111.039 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.0 -18.16 54.13 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.75 -0.659 . . . . 75.0 112.41 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.15 -19.29 54.32 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.337 0.398 . . . . 25.0 111.244 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -82.72 -59.84 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -48.46 -40.71 27.28 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.739 0.644 . . . . 50.0 112.739 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -69.8 -21.22 63.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.426 0.454 . . . . 50.0 111.935 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.94 -29.37 22.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.842 0.457 . . . . 75.0 111.713 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 104' ' ' LEU . 48.8 mm -78.83 -54.49 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 173.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.15 -42.11 63.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 75.0 112.891 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 ttp -55.91 -56.85 15.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.834 0.453 . . . . 50.0 111.599 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -54.81 -58.48 7.41 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.451 0.469 . . . . 25.0 110.124 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD21 HD11 ' A' ' 42' ' ' LEU . 86.4 mt -43.7 -59.5 2.18 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.872 0.869 . . . . 50.0 110.935 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -52.1 -30.76 27.63 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.275 0.843 . . . . 75.0 113.275 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.71 -19.72 34.74 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.076 -0.511 . . . . 75.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.58 -43.57 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.379 0.672 . . . . 75.0 111.675 175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.6 mt -70.25 -38.97 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.097 0.159 . . . . 50.0 111.242 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -60.48 -17.14 43.04 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.656 0.597 . . . . 75.0 112.071 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -79.51 -43.66 22.7 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.577 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -80.47 -3.33 49.54 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.714 -0.675 . . . . 50.0 111.416 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.2 tttp . . . . . 0 CA--C 1.536 0.411 0 CA-C-N 115.453 -0.794 . . . . 50.0 110.298 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 39.0 t . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.793 0.33 . . . . 75.0 111.281 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.39 -117.0 0.85 Allowed Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.384 -0.825 . . . . 75.0 112.025 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.55 127.49 14.51 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.635 0.374 . . . . 25.0 110.298 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.25 155.46 43.87 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.756 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 81.6 mt -112.72 139.36 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.597 -0.729 . . . . 75.0 109.231 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -142.29 120.84 12.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.053 -0.521 . . . . 75.0 109.64 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 61.72 40.8 12.68 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.743 0.817 . . . . 75.0 111.952 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 71.57 -7.0 1.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.656 1.183 . . . . 75.0 113.57 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.6 t -94.55 125.17 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.221 -0.659 . . . . 50.0 109.221 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -84.32 137.37 33.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.506 . . . . 75.0 111.482 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.8 -158.06 8.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.072 -0.967 . . . . 75.0 112.971 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 137.58 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.233 -0.484 . . . . 75.0 109.753 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.579 HD12 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 137.85 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 75.0 110.725 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.64 141.01 41.19 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.497 0.498 . . . . 25.0 111.26 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.05 130.26 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.168 0.509 . . . . 75.0 110.17 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.6 106.44 18.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.853 -1.067 . . . . 50.0 111.455 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -122.36 168.1 12.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.637 -0.711 . . . . 75.0 109.157 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 72.72 2.26 4.29 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.833 0.853 . . . . 50.0 111.658 -171.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -101.67 -171.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.202 -1.363 . . . . 50.0 109.76 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -73.24 166.51 43.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 106.128 -1.805 . . . . 75.0 106.128 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.44 129.17 3.49 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.411 1.897 . . . . 50.0 113.284 -143.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' H ' ' HH ' ' A' ' 111' ' ' TYR . . . -50.44 138.43 17.26 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 114.367 -1.288 . . . . 25.0 113.17 -165.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.74 172.29 8.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.599 -1.637 . . . . 75.0 111.162 -168.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 39.4 tp -127.47 109.9 12.22 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.768 -1.197 . . . . 75.0 107.768 173.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -109.01 112.03 24.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.337 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 78.1 t90 -87.76 133.78 33.8 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.331 -0.849 . . . . 50.0 109.49 170.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -127.19 159.3 34.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 75.0 109.493 173.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.6 p -68.14 169.01 11.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.884 -0.413 . . . . 50.0 109.884 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 -28.62 58.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -99.89 -30.4 12.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.448 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.83 18.07 16.81 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.541 -0.754 . . . . 75.0 113.701 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.62 -27.78 65.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.587 0.355 . . . . 50.0 111.499 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 0.2 OUTLIER -109.5 142.33 40.68 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.304 -0.628 . . . . 75.0 109.304 174.159 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.29 136.95 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 N-CA-C 111.978 0.362 . . . . 50.0 111.978 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.3 m-70 -133.2 145.76 50.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.546 -0.752 . . . . 50.0 109.36 176.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -128.96 131.06 47.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.062 0.458 . . . . 25.0 112.02 -174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG12 HD23 ' A' ' 62' ' ' LEU . 3.4 t -114.42 107.64 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.193 -0.912 . . . . 50.0 109.987 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.57 121.13 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.66 -0.867 . . . . 50.0 108.66 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.53 -20.84 59.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.721 1.008 . . . . 75.0 113.721 -171.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -69.01 -4.62 17.61 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.241 0.543 . . . . 50.0 110.416 175.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.24 6.28 14.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.834 -1.076 . . . . 25.0 110.139 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.3 mm -113.56 142.63 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.49 -0.777 . . . . 75.0 109.665 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.95 -45.65 3.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.559 . . . . 50.0 111.49 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.66 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 57.1 mttp -132.32 168.59 17.83 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.525 0.565 . . . . 75.0 112.525 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' A' ' 104' ' ' LEU . 4.9 mt -147.96 136.12 21.3 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -135.76 119.24 16.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.388 0.137 . . . . 75.0 111.045 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 144.39 41.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.124 0.416 . . . . 50.0 112.124 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.4 p -62.68 120.97 64.8 Favored Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 123.192 0.597 . . . . 75.0 111.514 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -54.55 163.21 3.92 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.969 2.446 . . . . 75.0 113.452 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 94' ' ' ARG . . . -71.26 -11.27 60.83 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.8 -0.636 . . . . 25.0 112.041 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -95.66 -17.48 21.28 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.825 -0.625 . . . . 75.0 111.331 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -70.75 138.01 50.12 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.708 0.633 . . . . 50.0 112.708 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.41 -30.79 41.98 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.378 -1.283 . . . . 75.0 112.394 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -90.74 145.83 24.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 113.766 -1.561 . . . . 50.0 112.928 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.453 ' C ' ' HG3' ' A' ' 59' ' ' MET . 91.5 mmm -117.59 97.54 5.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.375 -0.83 . . . . 75.0 109.172 167.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.453 ' HG3' ' C ' ' A' ' 58' ' ' MET . 38.8 mtt -154.8 150.85 27.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.643 -0.708 . . . . 50.0 111.88 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 tp -127.97 119.37 25.36 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.944 -1.025 . . . . 50.0 109.203 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -101.38 147.24 26.56 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.207 0.527 . . . . 75.0 112.21 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.662 HD23 HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -128.24 106.19 8.87 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.768 -1.105 . . . . 50.0 110.026 178.583 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.66 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 91.3 mt -85.0 129.88 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 116.075 -0.511 . . . . 50.0 109.727 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.27 168.62 38.81 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.837 -0.619 . . . . 50.0 113.891 -174.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.2 tttp . . . . . 0 C--O 1.237 0.413 0 CA-C-O 121.541 0.686 . . . . 75.0 112.367 179.651 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 82' ' ' PRO . 99.3 mt-10 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 111.783 0.29 . . . . 75.0 111.783 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -68.96 -18.53 64.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.884 0.373 . . . . 50.0 110.678 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' HG12 ' A' ' 81' ' ' VAL . 99.1 mttt -97.51 129.68 44.65 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.369 -0.832 . . . . 75.0 109.963 172.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HB3' HG22 ' A' ' 81' ' ' VAL . 67.3 mttt -100.71 145.65 28.2 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.755 -0.657 . . . . 75.0 111.567 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 39.1 mtp-105 -110.71 154.42 23.91 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.268 -1.012 . . . . 75.0 108.268 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.66 143.07 51.18 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.155 -0.313 . . . . 75.0 110.155 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -87.47 -169.59 2.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.751 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.09 -31.59 63.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.839 1.051 . . . . 50.0 113.839 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -92.08 -18.12 24.03 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.22 8.06 Favored Glycine 0 C--N 1.34 0.796 0 C-N-CA 121.492 -0.385 . . . . 50.0 113.189 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -91.03 142.35 27.86 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.211 -0.292 . . . . 75.0 110.211 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -72.91 100.81 3.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 50.0 111.182 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 59.4 t -106.78 99.88 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.416 173.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 70' ' ' LYS . 13.7 t -92.44 126.32 52.85 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 116.024 -0.534 . . . . 50.0 111.387 -172.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 37.7 Cg_endo -58.48 128.64 29.13 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 123.448 2.765 . . . . 75.0 114.209 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 CA--C 1.551 0.992 0 CA-C-N 114.873 -1.058 . . . . 75.0 111.589 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.512 0.196 . . . . 75.0 110.746 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 63.1 ttp -104.13 137.98 41.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.526 0.679 . . . . 75.0 111.658 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 75.8 m-85 -116.7 164.0 15.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 114.32 -1.309 . . . . 50.0 108.326 172.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.756 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 67.4 m -121.32 135.88 55.04 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.315 0.579 . . . . 75.0 111.114 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CD2' ' CG ' ' A' ' 97' ' ' MET . 11.1 m-85 -121.86 176.5 5.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.886 -1.052 . . . . 50.0 111.84 -172.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.59 -19.88 7.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 50.0 110.898 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.586 0.355 . . . . 75.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.533 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -74.38 -19.66 60.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.826 -0.625 . . . . 75.0 112.432 178.066 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.6 p -73.9 -20.35 60.42 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.246 0.341 . . . . 25.0 111.224 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.3 t -82.97 -57.93 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.92 -0.77 . . . . 50.0 108.92 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.516 ' CG ' ' CD2' ' A' ' 91' ' ' PHE . 78.8 mtm -49.56 -43.05 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 112.795 0.665 . . . . 75.0 112.795 -178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -70.29 -21.35 62.96 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.488 -0.778 . . . . 50.0 111.82 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.1 -37.93 15.82 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.958 0.503 . . . . 75.0 112.14 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.74 -52.89 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -53.89 -42.3 68.51 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.849 0.859 . . . . 75.0 111.964 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.9 ttp -51.65 -52.2 49.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.163 0.585 . . . . 75.0 111.75 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -61.6 -57.91 10.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' A' ' 48' ' ' LEU . 96.0 mt -43.72 -58.8 2.51 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.007 0.923 . . . . 50.0 110.866 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -48.79 -33.24 10.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.309 1.043 . . . . 75.0 113.326 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -83.33 -20.3 34.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.046 -0.524 . . . . 75.0 111.24 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.0 -41.93 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.177 0.591 . . . . 75.0 111.897 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.18 -35.73 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 117.967 0.349 . . . . 50.0 110.791 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -63.63 -18.03 63.51 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.896 -0.593 . . . . 50.0 111.601 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -76.87 -41.37 44.17 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.674 172.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 65.9 m-85 -86.53 1.29 52.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.391 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 115.351 -0.84 . . . . 50.0 109.997 178.543 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.815 0.341 . . . . 75.0 111.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.24 -118.64 0.63 Allowed Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.409 -0.814 . . . . 75.0 112.084 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.69 126.88 12.95 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.741 0.416 . . . . 25.0 110.168 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.16 151.51 40.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -110.52 138.9 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 115.72 -0.673 . . . . 75.0 109.405 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -142.29 116.77 9.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.917 -0.583 . . . . 75.0 109.697 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 62.94 42.19 7.8 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.888 0.875 . . . . 75.0 111.967 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt 69.28 -7.46 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.638 1.175 . . . . 75.0 113.88 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG11 ' HD2' ' A' ' 36' ' ' LYS . 94.4 t -93.84 116.39 34.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 173.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -78.45 141.03 38.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.916 -0.583 . . . . 75.0 111.404 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.3 -157.9 8.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.102 -0.954 . . . . 75.0 112.994 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.66 138.64 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.132 -0.534 . . . . 75.0 109.666 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.83 139.13 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.052 -0.522 . . . . 75.0 110.445 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 145.88 45.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.999 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.51 139.15 25.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.307 0.575 . . . . 75.0 110.058 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.5 t30 -106.57 99.38 8.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.597 -1.183 . . . . 50.0 110.399 -175.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' OE2' HD12 ' A' ' 107' ' ' ILE . 71.2 mt-10 -121.83 167.25 13.23 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.793 -0.447 . . . . 75.0 109.793 176.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.86 1.61 4.08 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.0 0.92 . . . . 50.0 110.438 -170.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.48 -173.18 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 114.592 -1.185 . . . . 50.0 110.066 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.47 163.05 70.98 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 106.074 -1.824 . . . . 75.0 106.074 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -42.38 130.01 4.87 Favored 'Trans proline' 0 C--N 1.374 1.886 0 CA-C-N 122.188 1.817 . . . . 50.0 113.133 -143.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -49.09 138.07 12.53 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.346 -1.297 . . . . 25.0 112.863 -164.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -132.35 137.15 47.29 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.116 -0.947 . . . . 75.0 112.872 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD21 HD11 ' A' ' 62' ' ' LEU . 27.5 tp -95.2 110.53 22.49 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.497 -0.927 . . . . 75.0 108.497 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.6 m -104.05 107.84 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 113.977 -1.465 . . . . 25.0 110.724 -171.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.503 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 83.0 t90 -84.43 134.76 34.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.779 -0.646 . . . . 50.0 109.309 171.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.99 148.72 50.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.505 -0.771 . . . . 75.0 109.639 173.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.663 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 88.1 p -68.49 158.65 33.34 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.437 -0.579 . . . . 50.0 109.437 173.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -53.16 -20.08 3.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.531 0.938 . . . . 25.0 113.531 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -101.19 -31.55 10.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.448 0.468 . . . . 75.0 110.821 171.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.98 17.18 33.22 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.605 -0.725 . . . . 75.0 113.032 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -75.78 -28.21 58.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.648 0.379 . . . . 75.0 110.051 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.663 ' H ' ' HG ' ' A' ' 31' ' ' SER . 56.7 mttp -106.49 137.21 44.89 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.622 -0.717 . . . . 75.0 109.342 173.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.03 132.93 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-O 120.776 0.322 . . . . 50.0 111.725 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.5 m-70 -125.92 149.38 48.76 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.647 -0.706 . . . . 50.0 109.554 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.29 142.24 50.89 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.865 0.364 . . . . 25.0 111.672 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 74.1 t -131.92 107.49 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-N 115.48 -0.782 . . . . 50.0 110.341 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.78 118.72 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.647 -0.871 . . . . 50.0 108.647 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 107' ' ' ILE . 71.3 mt -77.88 -18.07 56.61 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.346 0.869 . . . . 75.0 113.346 -171.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.8 -3.63 16.48 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.267 0.556 . . . . 50.0 110.542 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -115.27 1.95 13.91 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.921 -1.036 . . . . 25.0 110.292 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.9 mm -105.8 142.99 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 115.653 -0.703 . . . . 75.0 110.095 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -110.79 -46.94 3.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.853 -0.612 . . . . 75.0 111.79 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 15.8 mttp -131.2 166.83 20.29 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.44 0.533 . . . . 75.0 112.44 -176.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -148.02 130.17 15.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.027 -0.731 . . . . 50.0 109.027 178.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -131.43 114.79 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 111.742 0.275 . . . . 75.0 111.742 -174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HB1' HD13 ' A' ' 60' ' ' LEU . . . -116.24 152.01 34.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.778 0.659 . . . . 75.0 112.778 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.786 ' HG1' ' NH1' ' A' ' 94' ' ' ARG . 34.2 p -68.71 122.31 84.35 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.52 0.728 . . . . 75.0 111.735 -177.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.02 162.7 8.75 Favored 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.783 2.322 . . . . 75.0 113.075 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.42 -8.53 55.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.786 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -95.82 -18.18 20.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.754 -0.657 . . . . 50.0 111.117 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -72.94 137.9 45.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.832 -0.622 . . . . 50.0 112.124 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.623 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -62.42 -18.57 62.0 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.129 -0.941 . . . . 50.0 111.946 176.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HB3' ' HE1' ' A' ' 59' ' ' MET . 75.2 mmtt -94.48 155.73 16.8 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.581 -1.19 . . . . 75.0 112.998 -172.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' SER . 73.3 mtm -128.18 98.39 5.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.641 -1.163 . . . . 75.0 108.914 170.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.541 ' HE1' ' HB3' ' A' ' 57' ' ' LYS . 75.4 mtm -154.19 153.83 32.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.57 -0.741 . . . . 75.0 111.446 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD13 ' HB1' ' A' ' 50' ' ' ALA . 13.8 tp -136.39 118.4 15.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.272 -0.876 . . . . 50.0 108.871 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -106.13 146.58 30.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.113 0.482 . . . . 75.0 111.809 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 23.6 mt -128.01 104.81 8.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.964 -1.016 . . . . 50.0 110.289 -175.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 71.3 mt -85.33 136.25 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.874 -0.603 . . . . 50.0 109.922 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.08 139.36 14.44 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.135 -0.484 . . . . 50.0 113.551 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 123.781 0.833 . . . . 75.0 112.014 179.846 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.366 0.506 . . . . 75.0 112.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -75.28 -11.87 60.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.856 0.36 . . . . 50.0 111.602 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.05 37.98 1.27 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.553 -0.749 . . . . 75.0 110.856 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.2 117.85 1.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.097 0.959 . . . . 75.0 112.459 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -102.12 153.21 20.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.114 -0.948 . . . . 50.0 110.122 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.3 148.05 50.24 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.323 -0.399 . . . . 75.0 110.329 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -84.79 -174.79 5.47 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.55 -0.75 . . . . 75.0 111.19 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -55.74 -31.81 62.85 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.884 1.068 . . . . 50.0 113.884 -174.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -91.8 -20.18 21.77 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.833 0.308 . . . . 50.0 111.833 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.95 25.33 5.94 Favored Glycine 0 C--N 1.339 0.737 0 O-C-N 123.32 0.387 . . . . 50.0 113.09 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -89.91 145.24 25.27 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.542 0.337 . . . . 75.0 110.178 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.636 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -74.0 118.22 16.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.096 0.474 . . . . 75.0 111.302 -175.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.57 100.87 7.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.071 -0.968 . . . . 50.0 109.233 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -94.66 126.99 45.37 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 115.318 -0.856 . . . . 50.0 111.209 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.28 133.38 46.14 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.029 2.486 . . . . 75.0 113.713 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 114.553 -1.203 . . . . 75.0 111.903 -175.205 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 16.0 m-70 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.626 0.251 . . . . 75.0 110.8 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -100.38 143.19 30.85 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.956 0.408 . . . . 75.0 111.12 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.0 m-85 -136.3 127.8 28.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.311 -0.858 . . . . 50.0 109.615 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.1 m -83.89 145.66 28.48 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.844 0.354 . . . . 75.0 111.136 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.24 175.39 8.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.572 -0.74 . . . . 50.0 111.844 -173.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -121.53 -15.71 7.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.39 -0.823 . . . . 75.0 111.741 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -144.07 143.36 31.12 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.624 0.37 . . . . 75.0 111.253 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.786 ' NH1' ' HG1' ' A' ' 51' ' ' THR . 24.6 mmt180 -77.94 -18.97 55.45 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.475 -0.784 . . . . 75.0 112.712 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.21 -21.22 50.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 123.182 0.301 . . . . 25.0 111.213 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.07 -62.7 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.9 ptp -47.39 -41.12 19.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.93 -23.93 63.29 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 123.35 0.406 . . . . 50.0 111.749 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.05 -31.08 20.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.028 0.531 . . . . 75.0 111.88 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mm -74.4 -55.55 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -51.72 -41.67 61.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.14 0.976 . . . . 75.0 112.515 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.2 ttp -60.65 -57.65 11.79 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.15 0.281 . . . . 75.0 111.061 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 m -50.13 -58.39 5.66 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.397 0.436 . . . . 25.0 109.855 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 HD12 HD12 ' A' ' 42' ' ' LEU . 4.2 mp -43.98 -59.07 2.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.1 0.96 . . . . 50.0 111.062 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -56.45 -29.59 61.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.751 -0.658 . . . . 75.0 112.686 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.88 -20.61 52.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.665 0.386 . . . . 75.0 111.229 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.528 HG21 HD11 ' A' ' 42' ' ' LEU . 85.6 mt -85.25 -42.72 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.558 0.743 . . . . 75.0 111.571 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.59 -33.33 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.658 0.383 . . . . 50.0 111.341 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -65.65 -17.97 64.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.749 0.655 . . . . 50.0 111.442 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -79.44 -42.96 24.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.785 0.434 . . . . 50.0 110.721 173.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.1 -5.14 57.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.747 -0.66 . . . . 50.0 111.162 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.536 0.436 0 CA-C-N 115.495 -0.775 . . . . 50.0 109.998 177.568 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 53.9 p . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.908 0.385 . . . . 75.0 111.728 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.17 -113.29 0.34 Allowed Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.16 -0.927 . . . . 75.0 111.843 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.94 129.63 12.31 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 122.645 0.378 . . . . 25.0 110.43 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.06 153.63 40.94 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.768 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.0 mt -112.36 139.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 115.59 -0.732 . . . . 75.0 109.324 175.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -143.24 119.84 11.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.869 -0.605 . . . . 75.0 109.542 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 61.5 41.67 12.3 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.761 0.824 . . . . 75.0 112.04 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.17 -7.42 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.588 1.155 . . . . 75.0 113.698 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.7 t -95.4 120.14 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -81.83 139.78 34.55 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.835 -0.62 . . . . 50.0 111.66 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.56 -156.42 7.85 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.232 -0.895 . . . . 75.0 113.109 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.87 139.76 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.071 -0.564 . . . . 75.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.95 136.77 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.557 -178.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 146.34 45.43 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.2 -0.455 . . . . 25.0 111.093 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.3 mt -105.02 131.85 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.307 0.575 . . . . 75.0 110.552 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.5 105.07 17.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.505 -1.225 . . . . 50.0 111.196 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 52.0 mt-10 -123.1 167.73 13.29 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.985 -0.746 . . . . 75.0 108.985 173.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 61.1 m-20 73.94 1.95 4.05 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 123.882 0.873 . . . . 50.0 110.494 -172.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -103.21 -172.25 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.075 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.6 164.75 58.79 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 106.078 -1.823 . . . . 75.0 106.078 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.47 129.22 3.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 CA-C-N 122.29 1.854 . . . . 50.0 113.182 -142.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.7 21.56 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.401 -1.272 . . . . 25.0 113.092 -164.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.55 171.46 10.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 113.703 -1.59 . . . . 75.0 110.771 -168.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 16' ' ' ILE . 22.2 tp -123.03 122.43 38.48 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.654 -0.869 . . . . 75.0 108.654 167.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.55 108.42 16.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.671 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.4 t90 -84.75 134.33 34.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.615 -0.721 . . . . 50.0 109.433 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.515 ' NH2' ' HA3' ' A' ' 34' ' ' GLY . 56.8 mtp180 -125.22 152.08 45.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.371 -0.831 . . . . 75.0 109.643 172.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.715 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 95.7 p -69.19 161.01 30.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.995 -0.526 . . . . 50.0 109.8 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -51.6 -28.72 14.98 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -96.45 -27.2 15.01 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.359 -0.382 . . . . 75.0 111.048 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA3' ' NH2' ' A' ' 30' ' ' ARG . . . 94.09 17.2 41.3 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.804 -0.634 . . . . 75.0 113.193 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -74.32 -29.55 61.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 122.76 0.424 . . . . 50.0 110.789 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.715 ' H ' ' HG ' ' A' ' 31' ' ' SER . 34.9 mttp -106.44 139.02 41.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.573 -0.74 . . . . 75.0 109.309 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -148.86 129.42 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 120.805 0.335 . . . . 50.0 111.743 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 95.8 m-70 -123.4 147.57 46.98 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.701 -0.681 . . . . 50.0 109.778 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -129.3 142.04 50.94 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.111 0.482 . . . . 25.0 111.707 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 62' ' ' LEU . 40.0 t -129.22 107.69 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 114.999 -1.0 . . . . 50.0 109.529 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.21 121.36 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.565 -0.902 . . . . 50.0 108.565 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.75 -22.08 58.99 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.73 1.011 . . . . 75.0 113.73 -172.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.7 p -66.06 -12.16 53.53 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.859 0.361 . . . . 50.0 111.3 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.38 16.21 16.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.521 -0.763 . . . . 25.0 110.827 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mm -110.6 139.35 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 115.561 -0.745 . . . . 75.0 109.127 175.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -106.36 -48.44 3.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.568 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB2' HD11 ' A' ' 63' ' ' ILE . 96.8 mttt -133.52 176.47 8.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.295 0.569 . . . . 75.0 112.047 -179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 127.08 10.44 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.768 -1.106 . . . . 50.0 108.504 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -124.3 116.48 22.7 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.507 0.194 . . . . 75.0 110.828 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.48 148.77 32.44 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.319 -0.4 . . . . 50.0 112.056 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 p -68.47 121.32 80.27 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.97 -0.559 . . . . 50.0 111.431 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -54.95 163.08 4.46 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.849 2.366 . . . . 75.0 113.363 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.71 60.16 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.969 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 p -95.45 -17.21 21.69 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.797 -0.638 . . . . 50.0 111.144 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -71.47 139.66 49.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.859 -0.61 . . . . 50.0 112.46 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.1 mp0 -57.49 -23.17 48.47 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.713 -1.131 . . . . 50.0 112.36 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -96.75 152.94 18.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.515 -169.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.409 ' C ' ' HG3' ' A' ' 59' ' ' MET . 75.7 mtm -124.53 98.31 5.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.492 -1.231 . . . . 75.0 109.02 169.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.445 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 68.8 mtp -155.47 157.14 36.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.518 -0.765 . . . . 75.0 111.337 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.12 118.47 14.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.309 -0.859 . . . . 50.0 108.996 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -101.45 146.36 27.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.165 0.507 . . . . 75.0 111.882 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 40' ' ' VAL . 91.6 mt -128.2 107.92 10.19 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.031 -0.986 . . . . 50.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 47' ' ' LYS . 97.8 mt -90.55 140.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.211 -0.45 . . . . 50.0 109.799 -174.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.74 157.24 22.85 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 116.153 -0.476 . . . . 50.0 114.104 -173.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 tttp . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.325 0.583 . . . . 75.0 112.047 178.31 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 113.096 0.776 . . . . 75.0 113.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -82.29 2.46 31.97 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.869 0.366 . . . . 50.0 111.607 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.94 33.19 2.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.858 -0.61 . . . . 75.0 110.931 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -46.0 116.62 1.27 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.799 0.84 . . . . 75.0 112.037 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -102.08 154.98 18.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.333 -0.849 . . . . 75.0 110.698 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.14 143.84 50.98 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.115 -0.493 . . . . 75.0 110.036 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -85.02 -169.14 2.51 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 50.0 111.792 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.84 -31.43 64.76 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.471 0.915 . . . . 75.0 113.471 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.05 -22.28 20.83 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.129 0.418 . . . . 50.0 112.129 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.35 22.69 8.04 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 121.473 -0.394 . . . . 50.0 113.2 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -92.02 146.0 24.09 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.027 -0.36 . . . . 75.0 110.027 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.1 pm0 -72.82 113.26 9.65 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.43 . . . . 75.0 111.322 -175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.44 100.79 11.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.246 -0.888 . . . . 50.0 109.078 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 58.2 t -94.35 122.48 61.17 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 115.376 -0.829 . . . . 50.0 111.469 -172.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 50.8 Cg_exo -64.63 124.34 13.09 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.041 2.494 . . . . 75.0 112.926 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.545 0.777 0 CA-C-N 114.747 -1.115 . . . . 75.0 112.54 -175.136 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.3 m-70 . . . . . 0 N--CA 1.468 0.457 0 CA-C-O 120.854 0.359 . . . . 75.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.1 mtm -101.68 142.38 33.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.927 -0.579 . . . . 75.0 110.948 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -134.61 129.32 34.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.503 -0.771 . . . . 50.0 109.78 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.768 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.88 143.65 29.74 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.93 0.395 . . . . 75.0 111.297 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -127.57 175.73 8.03 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.379 -0.828 . . . . 50.0 111.659 -173.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.86 -17.06 6.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.814 -0.63 . . . . 75.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.43 130.22 16.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.469 0.308 . . . . 75.0 110.571 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.642 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.0 mpt_? -62.26 -18.0 60.0 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.248 0.833 . . . . 75.0 113.248 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.4 p -76.71 -25.04 53.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.474 0.31 . . . . 25.0 111.524 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.57 -62.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.642 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 13.3 ptp -47.19 -30.07 2.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.205 1.002 . . . . 50.0 113.524 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.53 -35.23 46.51 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.034 0.209 . . . . 50.0 111.216 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.5 -31.01 57.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.007 0.523 . . . . 75.0 112.177 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -72.45 -53.4 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 172.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.84 -42.53 62.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.997 0.919 . . . . 75.0 112.111 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 ttp -55.14 -52.17 64.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.305 0.642 . . . . 75.0 111.639 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.5 m -60.65 -57.15 13.94 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.242 0.339 . . . . 25.0 110.157 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -43.78 -58.22 2.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.031 0.932 . . . . 50.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -50.7 -32.67 20.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.389 1.076 . . . . 75.0 113.288 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.65 -20.29 36.57 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.144 -0.48 . . . . 75.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -83.45 -44.98 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.5 0.72 . . . . 75.0 111.967 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.18 -40.16 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 117.812 0.278 . . . . 50.0 111.203 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.7 p -70.36 -14.69 62.68 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.753 0.649 . . . . 50.0 112.753 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -69.0 -32.53 72.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.796 -0.446 . . . . 75.0 109.796 166.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.81 -4.05 55.37 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.268 -0.878 . . . . 50.0 112.052 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 92.0 mttt . . . . . 0 N--CA 1.478 0.937 0 C-N-CA 122.842 0.457 . . . . 75.0 110.563 173.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.9 0.381 . . . . 75.0 111.702 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.25 -117.46 0.73 Allowed Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.194 -0.912 . . . . 75.0 111.766 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.56 127.57 14.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.579 0.352 . . . . 25.0 110.315 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.9 155.11 43.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.788 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 67.1 mt -113.7 140.04 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.181 -0.674 . . . . 75.0 109.181 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -143.84 116.91 8.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.085 -0.507 . . . . 75.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 63.55 42.88 6.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.895 0.878 . . . . 75.0 112.019 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 70.84 -8.42 0.95 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.691 1.196 . . . . 75.0 113.747 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.599 HG22 ' HE2' ' A' ' 36' ' ' LYS . 72.1 t -93.6 121.99 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.158 -0.682 . . . . 50.0 109.158 173.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -82.1 138.12 34.86 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.944 -0.571 . . . . 50.0 111.326 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -153.14 -157.93 8.29 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.179 -0.919 . . . . 75.0 113.261 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.4 mt -127.03 136.59 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 114.949 -0.625 . . . . 75.0 109.457 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.3 tt -100.68 136.02 34.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 116.242 -0.435 . . . . 75.0 110.636 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.23 138.57 40.27 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.554 0.534 . . . . 25.0 111.248 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.5 mt -96.2 131.65 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.08 0.466 . . . . 75.0 110.246 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' ND2' ' HG1' ' A' ' 28' ' ' THR . 75.7 m-20 -98.98 104.79 16.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.877 -1.056 . . . . 50.0 111.195 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' OE2' HD13 ' A' ' 107' ' ' ILE . 66.5 mt-10 -121.91 167.91 12.51 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.016 -0.735 . . . . 75.0 109.016 173.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 73.42 2.14 4.2 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.907 0.883 . . . . 50.0 110.513 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.0 -172.43 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 114.674 -1.148 . . . . 50.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.8 164.35 61.8 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 105.295 -2.113 . . . . 50.0 105.295 171.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -41.58 129.65 3.71 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 122.623 1.972 . . . . 50.0 113.512 -141.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.94 139.58 22.05 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.288 -1.324 . . . . 25.0 113.069 -165.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -124.92 172.1 9.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.683 -1.598 . . . . 75.0 111.244 -167.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.629 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 40.6 tp -127.4 109.29 11.62 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.288 -1.005 . . . . 75.0 108.288 174.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.484 ' HG1' ' ND2' ' A' ' 19' ' ' ASN . 97.0 m -107.02 110.99 23.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.313 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.1 t90 -85.45 137.35 32.97 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.709 -0.678 . . . . 50.0 109.318 168.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm180 -130.95 160.01 35.78 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.956 -1.02 . . . . 50.0 109.263 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.606 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 93.7 p -77.84 164.29 25.31 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.773 -0.454 . . . . 50.0 109.773 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.69 -31.75 58.39 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.505 0.558 . . . . 25.0 112.505 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.94 -31.26 12.64 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.255 -0.43 . . . . 75.0 110.439 171.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.58 18.16 13.51 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.472 -0.785 . . . . 75.0 113.798 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.9 p-10 -69.99 -25.11 63.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.819 0.448 . . . . 50.0 111.302 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 17.5 mttp -112.96 139.93 48.2 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.789 -0.641 . . . . 75.0 109.447 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG22 ' C ' ' A' ' 36' ' ' LYS . 95.1 t -148.85 128.41 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.697 0.284 . . . . 50.0 110.977 -175.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.598 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.6 m-70 -125.95 145.02 50.45 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.908 -0.587 . . . . 50.0 109.538 177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.3 128.57 43.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.965 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 58.7 t -112.96 107.62 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.206 -0.907 . . . . 50.0 110.088 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.92 120.87 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.697 -0.853 . . . . 50.0 108.697 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.53 -22.97 59.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.959 1.096 . . . . 75.0 113.959 -170.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.8 p -67.46 -2.69 6.79 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.096 0.474 . . . . 75.0 110.906 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.21 3.83 14.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.208 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.96 143.22 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.458 -0.792 . . . . 75.0 109.784 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -112.39 -43.26 3.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.86 -0.609 . . . . 50.0 111.326 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.597 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.9 mttt -133.19 169.83 16.31 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.783 0.661 . . . . 50.0 112.783 -176.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.59 132.63 15.25 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.399 -0.819 . . . . 50.0 108.885 178.114 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -134.82 120.62 19.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.55 0.159 . . . . 75.0 110.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.04 147.52 37.06 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.175 0.435 . . . . 75.0 112.175 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 p -63.34 122.53 76.38 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.345 0.658 . . . . 75.0 111.661 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.44 164.57 5.33 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.774 2.316 . . . . 75.0 113.355 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HB3' ' CD ' ' A' ' 94' ' ' ARG . . . -74.35 -9.61 58.77 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.954 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -96.79 -9.64 28.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.942 -0.572 . . . . 50.0 110.72 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 137.96 37.54 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 116.025 -0.534 . . . . 50.0 112.295 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.676 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -61.25 -26.13 67.55 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.936 -1.029 . . . . 75.0 111.878 175.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -86.49 142.54 28.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.128 -1.396 . . . . 75.0 112.433 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.415 ' C ' ' HG3' ' A' ' 59' ' ' MET . 97.6 mmm -116.18 96.85 5.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.577 -0.738 . . . . 75.0 109.054 169.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.437 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.8 mtt -155.57 156.05 34.42 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 115.836 -0.62 . . . . 50.0 112.202 -173.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' PHE . 12.9 tp -133.13 119.83 20.45 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.959 -1.019 . . . . 50.0 109.219 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -101.31 145.01 29.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.156 0.503 . . . . 75.0 111.865 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -126.82 106.31 9.25 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.998 -1.001 . . . . 50.0 110.014 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.597 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 46.4 mt -85.83 128.76 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.526 -0.761 . . . . 50.0 110.028 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.02 37.72 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.738 -0.664 . . . . 50.0 113.816 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--O 1.237 0.411 0 CA-C-O 121.679 0.752 . . . . 75.0 112.802 -178.834 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 112.068 0.396 . . . . 75.0 112.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -81.84 -21.24 37.69 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.559 0.344 . . . . 50.0 111.748 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -84.59 129.41 34.85 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.097 0.475 . . . . 75.0 111.181 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -96.39 122.28 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.219 -0.9 . . . . 75.0 111.873 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 68.2 ttp85 -110.11 142.27 41.82 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.986 -0.746 . . . . 50.0 108.986 171.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.59 144.39 50.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.808 0.337 . . . . 75.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -82.58 -170.11 2.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.627 -0.715 . . . . 50.0 111.769 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -57.34 -31.5 65.77 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.42 0.896 . . . . 75.0 113.42 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -89.9 -23.21 21.67 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.953 0.353 . . . . 50.0 111.953 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.96 17.4 13.06 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 121.51 -0.376 . . . . 50.0 113.379 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -87.21 147.24 25.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.056 -0.35 . . . . 75.0 110.056 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' HG22 ' A' ' 81' ' ' VAL . 88.1 tt0 -71.26 119.55 15.55 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.991 0.424 . . . . 50.0 111.367 -174.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 37.3 t -123.62 99.5 6.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.082 -0.963 . . . . 50.0 108.869 172.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 79' ' ' GLU . 91.9 t -90.29 125.14 61.06 Favored Pre-proline 0 CA--C 1.551 1.002 0 CA-C-N 115.535 -0.757 . . . . 50.0 110.591 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.76 129.98 36.28 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.077 2.518 . . . . 75.0 113.869 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 CA--C 1.54 0.594 0 CA-C-N 114.831 -1.077 . . . . 75.0 112.469 -176.081 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m-70 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.484 0.183 . . . . 75.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -101.69 140.87 35.39 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.998 0.428 . . . . 75.0 111.499 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.2 m-85 -129.56 130.22 45.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.219 -0.901 . . . . 50.0 109.412 176.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.788 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 41.6 t -88.8 140.79 29.09 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.275 0.56 . . . . 75.0 111.784 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -124.15 176.29 6.49 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.018 -0.992 . . . . 50.0 111.891 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -122.26 -16.33 7.44 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.964 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.633 ' ND2' ' HG1' ' A' ' 95' ' ' THR . 51.0 t-20 -141.02 143.77 34.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.692 0.397 . . . . 75.0 111.034 -178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.615 ' CD ' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -80.68 -22.31 40.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.834 0.679 . . . . 75.0 112.834 -177.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.633 ' HG1' ' ND2' ' A' ' 93' ' ' ASN . 62.2 p -78.15 -19.47 53.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 123.067 0.229 . . . . 25.0 111.187 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.17 -62.56 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.965 -0.754 . . . . 50.0 108.965 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -39.26 21.85 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.087 0.555 . . . . 50.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.32 -22.04 61.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.682 -0.69 . . . . 75.0 112.748 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.05 -37.9 15.91 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.838 0.455 . . . . 75.0 112.124 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.72 -54.08 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 109.247 -0.649 . . . . 50.0 109.247 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -52.71 -42.87 65.25 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.795 0.838 . . . . 75.0 111.854 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.7 ttm -52.29 -53.44 44.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.195 0.598 . . . . 75.0 111.794 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.6 m -60.15 -57.58 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.543 HD21 HD12 ' A' ' 27' ' ' LEU . 96.0 mt -43.73 -58.36 2.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.097 0.959 . . . . 50.0 110.958 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -50.96 -31.04 16.59 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.253 1.021 . . . . 75.0 113.315 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.77 -20.38 33.42 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.044 -0.526 . . . . 75.0 111.043 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.471 HD13 ' OE2' ' A' ' 20' ' ' GLU . 96.6 mt -82.37 -43.82 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 C-N-CA 123.403 0.681 . . . . 75.0 111.666 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.95 -35.56 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 122.247 0.219 . . . . 50.0 111.131 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -63.7 -18.82 64.39 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.611 0.57 . . . . 75.0 111.888 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -78.07 -42.02 33.54 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.152 -0.476 . . . . 50.0 110.725 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -81.44 -3.52 53.17 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.328 -0.851 . . . . 75.0 111.591 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 CA--C 1.536 0.412 0 CA-C-N 115.351 -0.84 . . . . 50.0 110.363 179.645 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 121.073 0.463 . . . . 50.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.05 -122.37 0.91 Allowed Glycine 0 C--N 1.333 0.362 0 CA-C-N 115.098 -0.955 . . . . 75.0 111.958 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.46 122.4 10.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.555 0.342 . . . . 25.0 110.235 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 16' ' ' ILE . . . -140.0 154.33 47.1 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 75.0 mt -112.89 139.09 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.706 -0.679 . . . . 75.0 109.243 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -143.48 120.0 11.04 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.546 -0.539 . . . . 75.0 109.546 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 63.11 40.87 8.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.803 0.841 . . . . 75.0 111.969 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 69.64 -6.76 0.97 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.601 1.16 . . . . 75.0 113.828 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -93.82 122.49 45.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 173.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -82.49 136.25 34.93 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.39 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.22 -159.48 9.0 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.09 -0.959 . . . . 75.0 113.112 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.58 138.42 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.587 . . . . 75.0 109.444 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 HD11 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.46 140.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.543 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.82 145.93 45.05 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.453 0.471 . . . . 25.0 111.147 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -104.88 139.98 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.327 0.585 . . . . 75.0 109.833 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 6.5 t30 -110.59 99.54 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.599 -1.182 . . . . 50.0 110.471 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.12 167.62 12.94 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.526 -0.546 . . . . 75.0 109.526 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.94 3.25 4.56 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.766 0.826 . . . . 50.0 111.641 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 m -102.32 -173.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.26 -1.336 . . . . 50.0 110.287 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -74.66 162.19 74.69 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 105.283 -2.117 . . . . 50.0 105.283 169.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -43.16 130.16 6.12 Favored 'Trans proline' 0 C--N 1.376 1.983 0 CA-C-N 122.475 1.92 . . . . 50.0 113.256 -141.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.48 138.88 9.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.075 -1.421 . . . . 25.0 112.927 -165.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.69 138.91 47.43 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.306 0.854 . . . . 75.0 113.306 -173.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 63.6 tp -96.75 104.98 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.722 -1.214 . . . . 75.0 107.722 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.7 m -104.04 109.51 21.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.013 -1.449 . . . . 25.0 111.199 -170.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.486 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 73.5 t90 -84.92 135.44 34.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 115.774 -0.648 . . . . 50.0 109.336 170.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -126.48 163.89 22.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.237 -0.892 . . . . 75.0 110.021 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.491 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.7 p -72.45 169.4 16.46 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.2 m -56.77 -28.55 61.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.508 0.594 . . . . 25.0 112.437 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -100.01 -28.97 12.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.477 170.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.96 18.78 21.44 Favored Glycine 0 C--N 1.342 0.892 0 CA-C-N 115.358 -0.837 . . . . 75.0 113.696 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.6 p-10 -68.76 -28.02 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.622 0.369 . . . . 75.0 110.651 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -110.16 141.92 42.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.874 -0.603 . . . . 75.0 109.409 174.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.31 135.5 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 N-CA-C 112.058 0.392 . . . . 50.0 112.058 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.9 m-70 -129.22 147.84 51.1 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.589 -0.732 . . . . 50.0 109.372 175.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.63 129.97 45.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.624 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 87.4 t -116.47 107.73 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.901 -0.59 . . . . 50.0 110.703 175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' O ' ' OG1' ' A' ' 44' ' ' THR . 90.0 t -80.2 122.31 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.423 -0.954 . . . . 50.0 108.423 173.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD11 HD23 ' A' ' 104' ' ' LEU . 1.2 mm? -79.45 -19.27 50.28 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.493 0.923 . . . . 75.0 113.493 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -70.01 -1.88 11.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.091 0.472 . . . . 50.0 110.483 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 52.2 p -114.81 4.87 15.04 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.167 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -112.57 139.34 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.625 -0.716 . . . . 75.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.96 -44.39 4.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.848 -0.614 . . . . 50.0 111.541 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.68 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 65.3 mttp -131.81 166.96 20.39 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.408 0.522 . . . . 75.0 112.408 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' N ' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -148.46 125.56 11.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 178.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -130.18 122.91 29.06 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.318 0.104 . . . . 75.0 111.023 -176.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.36 155.13 27.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.613 0.598 . . . . 75.0 112.613 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 57' ' ' LYS . 34.0 p -65.32 119.52 60.1 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.63 0.772 . . . . 50.0 111.292 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.0 166.01 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.209 0 C-N-CA 123.143 2.562 . . . . 75.0 113.674 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.6 -4.53 40.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.867 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -102.99 -17.93 15.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.843 -0.617 . . . . 50.0 111.568 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 t -64.54 144.13 57.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.224 0.61 . . . . 75.0 112.436 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.3 pm0 -65.36 -24.07 67.15 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.144 -0.935 . . . . 75.0 111.483 173.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.577 ' HB3' HG22 ' A' ' 51' ' ' THR . 7.8 mmtp -89.88 143.41 26.82 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.005 -1.452 . . . . 50.0 112.694 -174.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.4 mtm -116.23 96.26 5.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.1 -0.954 . . . . 75.0 108.805 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 12.8 mtt -155.79 162.78 40.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 50.0 112.174 -174.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 tp -142.06 120.0 12.01 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.162 -0.927 . . . . 50.0 109.535 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -100.44 146.83 26.55 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.979 0.419 . . . . 75.0 111.366 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -127.86 104.77 8.0 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.278 -0.874 . . . . 50.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 87.5 mt -85.55 137.78 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.907 -0.588 . . . . 50.0 109.601 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.31 163.0 21.8 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.975 -0.557 . . . . 50.0 113.945 -172.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttt . . . . . 0 C--O 1.236 0.358 0 C-N-CA 123.05 0.54 . . . . 75.0 110.782 176.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.452 0.538 . . . . 75.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -76.66 0.02 21.82 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.997 0.427 . . . . 50.0 111.638 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -109.7 35.87 3.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.486 -0.779 . . . . 75.0 110.632 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -45.34 121.9 3.2 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.983 0.913 . . . . 75.0 112.486 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -103.06 153.68 20.03 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.072 -0.967 . . . . 75.0 110.219 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -127.04 140.95 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.282 -0.417 . . . . 75.0 109.998 177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -81.61 -171.47 3.34 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.919 -0.582 . . . . 50.0 112.04 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.46 -31.94 64.47 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.464 0.912 . . . . 75.0 113.464 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -90.96 -16.87 27.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.0 0.371 . . . . 50.0 112.0 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 19.51 16.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 121.489 -0.386 . . . . 50.0 113.438 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -88.23 149.77 23.66 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.23 -0.285 . . . . 75.0 110.23 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HG2' HG21 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.13 116.22 14.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.091 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.63 100.99 9.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.269 -0.878 . . . . 50.0 109.301 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -93.74 127.32 46.2 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 115.285 -0.871 . . . . 50.0 111.33 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.11 134.49 52.99 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.049 2.499 . . . . 75.0 113.589 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 CA--C 1.542 0.669 0 CA-C-N 114.854 -1.066 . . . . 75.0 111.447 -176.848 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.4 m-70 . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.463 0.173 . . . . 75.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 66.8 mtt -96.7 148.56 22.76 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.597 0.237 . . . . 75.0 110.887 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 59' ' ' MET . 99.0 m-85 -138.27 128.19 25.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.945 -0.57 . . . . 50.0 109.547 173.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.733 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 18.4 t -87.35 141.04 28.93 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.339 0.59 . . . . 75.0 111.759 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.74 176.2 7.08 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.932 -1.031 . . . . 50.0 111.939 -171.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -126.31 -8.49 6.4 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.7 -0.682 . . . . 50.0 110.801 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.41 HD22 ' HG1' ' A' ' 95' ' ' THR . 53.8 t-20 -143.92 143.69 31.38 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.928 0.394 . . . . 75.0 111.226 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -80.46 -31.37 37.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.478 -0.783 . . . . 75.0 112.596 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.41 ' HG1' HD22 ' A' ' 93' ' ' ASN . 82.8 p -72.93 -19.34 61.27 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.097 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -77.35 -62.7 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 108.882 -0.784 . . . . 50.0 108.882 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.522 ' HE2' ' O ' ' A' ' 51' ' ' THR . 4.1 ptm -48.44 -39.75 23.83 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.6 -25.12 63.81 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.841 0.682 . . . . 75.0 112.841 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.26 -34.47 18.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.087 0.555 . . . . 75.0 111.991 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.72 -55.76 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.32 -44.04 54.07 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.896 0.878 . . . . 75.0 112.573 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.4 -59.52 5.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 119.394 -0.336 . . . . 75.0 111.543 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -50.21 -56.51 10.77 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.458 0.474 . . . . 25.0 109.93 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 48' ' ' LEU . 98.8 mt -43.72 -57.88 2.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.875 0.87 . . . . 50.0 110.97 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -55.99 -30.7 62.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.319 -0.855 . . . . 75.0 112.635 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.53 -20.29 54.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.717 0.407 . . . . 75.0 111.017 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.08 -43.39 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.695 0.798 . . . . 75.0 111.585 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.444 HD11 HD22 ' A' ' 48' ' ' LEU . 85.8 mt -72.5 -34.85 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 122.488 0.315 . . . . 50.0 111.461 -175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.8 p -63.6 -18.95 64.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.68 0.612 . . . . 50.0 111.459 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -77.78 -42.62 33.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.132 -0.485 . . . . 50.0 110.775 172.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -81.67 -0.73 44.03 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.758 -0.655 . . . . 50.0 111.269 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.536 0.419 0 CA-C-N 115.45 -0.795 . . . . 50.0 110.325 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 50.0 111.059 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.17 -114.57 0.47 Allowed Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.403 -0.817 . . . . 75.0 111.993 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.17 126.61 11.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 122.559 0.344 . . . . 25.0 110.495 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HB2' HG13 ' A' ' 16' ' ' ILE . . . -143.51 152.41 41.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 -177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 93.3 mt -110.58 137.9 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.72 -0.673 . . . . 75.0 109.37 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -141.39 120.86 13.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.901 -0.591 . . . . 75.0 109.634 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 62.15 39.18 13.1 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.716 0.806 . . . . 75.0 112.096 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.26 -5.27 1.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.653 1.181 . . . . 75.0 113.547 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' HZ1' ' A' ' 36' ' ' LYS . 94.4 t -94.13 119.21 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 172.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -80.32 137.57 36.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.461 -175.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.59 -158.2 8.57 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.2 -0.909 . . . . 75.0 113.094 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -125.81 138.58 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.119 -0.541 . . . . 75.0 109.643 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.644 HD12 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.9 134.4 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.605 -178.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.13 139.49 41.23 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.316 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.1 mt -99.09 134.72 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.775 0.798 . . . . 50.0 110.774 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -100.89 107.54 19.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.671 -1.604 . . . . 50.0 111.36 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 47.9 mt-10 -122.63 167.71 13.08 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.418 -0.586 . . . . 75.0 109.418 173.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 65.7 m-20 70.78 3.53 4.63 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.669 0.788 . . . . 50.0 111.842 -172.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 23' ' ' SER . 21.2 m -101.87 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.275 -1.33 . . . . 50.0 109.872 176.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 22' ' ' VAL . 86.9 p -73.33 163.84 65.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 105.993 -1.854 . . . . 75.0 105.993 171.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -41.54 128.88 3.59 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 122.148 1.803 . . . . 50.0 113.272 -141.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 138.19 18.36 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 114.258 -1.337 . . . . 25.0 113.139 -165.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -122.57 171.77 8.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 113.686 -1.597 . . . . 75.0 111.16 -168.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 HD12 ' A' ' 16' ' ' ILE . 43.9 tp -127.36 107.68 10.19 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.028 -1.101 . . . . 75.0 108.028 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -108.52 112.09 24.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.654 -0.703 . . . . 25.0 111.254 -170.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.8 t90 -86.96 134.34 33.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.465 -0.789 . . . . 50.0 109.593 170.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -127.47 157.19 40.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.486 -0.779 . . . . 75.0 109.709 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 86.5 p -68.41 167.7 14.14 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.824 -0.435 . . . . 50.0 109.824 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.4 m -56.19 -28.92 59.99 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.42 -27.0 13.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.129 -0.487 . . . . 50.0 110.006 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 18.2 27.3 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.691 -0.686 . . . . 75.0 113.497 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 8.5 p-10 -70.2 -30.59 67.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.635 0.374 . . . . 75.0 110.746 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HZ1' HG11 ' A' ' 12' ' ' VAL . 16.8 mttp -110.13 135.33 51.1 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.006 -0.543 . . . . 75.0 109.617 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.34 134.27 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 120.842 0.353 . . . . 50.0 111.766 -174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 98.4 m-70 -127.83 147.24 50.43 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.619 -0.719 . . . . 50.0 109.555 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.39 129.22 44.45 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.868 0.366 . . . . 25.0 111.936 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 83.8 t -112.89 107.35 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.421 -0.809 . . . . 50.0 110.031 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.05 122.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD11 ' HB ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -75.81 -24.0 55.85 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.012 1.115 . . . . 75.0 114.012 -170.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 87.6 p -66.74 -3.47 6.77 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.093 0.473 . . . . 75.0 110.919 174.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.07 4.21 14.61 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.125 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 63' ' ' ILE . 21.6 mm -111.62 141.79 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.403 -0.817 . . . . 75.0 109.513 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -111.84 -44.24 3.49 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.998 -0.546 . . . . 50.0 111.511 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.97 173.72 11.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.9 0.381 . . . . 75.0 111.822 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.16 127.42 11.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.466 -0.788 . . . . 50.0 108.883 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -124.86 117.42 24.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.325 0.107 . . . . 75.0 110.806 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.02 151.74 28.96 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.004 0.372 . . . . 50.0 112.004 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -66.12 118.16 49.91 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-N 116.023 -0.535 . . . . 75.0 111.081 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.33 159.71 2.8 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.988 2.459 . . . . 75.0 113.468 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.607 ' HB3' ' HD2' ' A' ' 94' ' ' ARG . . . -71.89 -4.83 30.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.955 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.9 p -101.29 -17.47 16.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.639 -0.71 . . . . 50.0 111.148 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -71.06 136.74 48.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.126 0.57 . . . . 50.0 112.263 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -57.54 -28.19 63.3 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.898 -1.046 . . . . 75.0 112.278 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -83.84 153.96 23.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.783 -1.553 . . . . 75.0 113.574 -173.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.6 mtt -123.82 98.94 6.03 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.958 -1.019 . . . . 75.0 109.259 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.513 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 63.5 mtt -156.4 155.1 31.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.866 -0.606 . . . . 50.0 111.529 -175.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -135.55 119.73 17.71 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.427 -0.806 . . . . 50.0 109.464 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' NH2' ' SD ' ' A' ' 88' ' ' MET . 28.6 ttm180 -104.73 144.92 31.08 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.254 0.549 . . . . 75.0 112.108 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -128.41 105.22 8.17 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.979 -1.01 . . . . 50.0 110.488 -177.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' O ' HG21 ' A' ' 45' ' ' ILE . 89.4 mt -85.2 145.14 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.744 -0.465 . . . . 50.0 109.744 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.49 160.71 18.99 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 115.901 -0.591 . . . . 50.0 113.751 -174.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.237 0.403 0 C-N-CA 123.126 0.571 . . . . 75.0 110.926 177.178 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.173 0.434 . . . . 75.0 112.173 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.6 -13.69 60.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.552 0.341 . . . . 50.0 111.616 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.14 39.67 1.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.548 0.69 . . . . 75.0 110.726 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' HG23 ' A' ' 81' ' ' VAL . 27.6 ttmt -44.76 116.97 1.17 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.878 -1.055 . . . . 75.0 112.462 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -102.94 145.96 29.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.068 -0.969 . . . . 75.0 110.078 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.7 138.12 53.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.044 -0.525 . . . . 75.0 109.716 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -77.85 -171.35 2.22 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.031 -0.531 . . . . 50.0 112.339 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.5 -31.88 62.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.62 0.97 . . . . 75.0 113.62 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -88.83 -16.69 31.41 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.868 0.321 . . . . 50.0 111.868 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 22.26 12.92 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.258 -0.428 . . . . 50.0 112.847 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -92.98 148.58 21.88 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.492 0.317 . . . . 75.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 81' ' ' VAL . 88.1 tt0 -68.7 119.45 13.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.824 -0.625 . . . . 50.0 111.52 -175.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -128.52 99.7 5.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.368 -0.833 . . . . 50.0 108.76 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 79' ' ' GLU . 93.7 t -97.33 127.36 38.5 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.309 -0.86 . . . . 50.0 111.014 -172.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.27 130.96 38.39 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.94 2.426 . . . . 75.0 113.366 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 pttt . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 114.891 -1.05 . . . . 75.0 111.564 -175.024 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 88.8 m-70 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.522 0.201 . . . . 75.0 111.108 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.441 ' SD ' ' NH2' ' A' ' 61' ' ' ARG . 60.8 ttp -101.91 135.68 43.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.237 0.541 . . . . 75.0 111.035 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -117.69 165.65 13.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.719 -1.128 . . . . 50.0 108.938 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.476 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -119.23 144.84 46.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.831 0.348 . . . . 75.0 110.582 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -129.61 176.08 8.29 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.593 -0.73 . . . . 50.0 111.861 -172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -123.31 -17.78 6.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.685 -0.689 . . . . 50.0 110.971 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -141.94 143.62 33.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.663 0.385 . . . . 75.0 111.14 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.607 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 7.6 ttt180 -75.4 -28.08 59.3 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.494 -0.775 . . . . 75.0 112.145 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.8 p -74.19 -19.07 60.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.918 -0.583 . . . . 25.0 111.591 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.71 -62.54 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 109.057 -0.719 . . . . 50.0 109.057 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 24.7 ptp -43.78 -50.91 7.62 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.072 0.549 . . . . 50.0 112.213 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 97' ' ' MET . 82.5 m-20 -64.0 -26.08 68.41 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.521 0.513 . . . . 50.0 112.005 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -81.95 -33.18 30.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.867 0.467 . . . . 75.0 111.616 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.92 -51.76 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.372 -0.973 . . . . 50.0 108.372 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -44.99 -51.12 10.2 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.652 1.181 . . . . 75.0 112.3 172.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 ttm -53.79 -53.39 53.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.195 -0.911 . . . . 75.0 111.35 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.4 m -57.77 -61.08 2.78 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.314 0.384 . . . . 25.0 110.066 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 27' ' ' LEU . 91.1 mt -43.12 -57.28 2.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.234 1.014 . . . . 50.0 111.004 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -54.17 -32.44 55.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.001 -1.0 . . . . 75.0 113.242 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -76.41 -22.81 54.24 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.779 0.288 . . . . 75.0 111.779 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.554 ' HB ' HD11 ' A' ' 42' ' ' LEU . 92.4 mt -82.44 -42.28 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.906 -0.588 . . . . 75.0 111.768 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.86 -35.32 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 122.24 0.216 . . . . 50.0 111.106 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -64.26 -17.96 64.11 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.71 0.631 . . . . 50.0 111.457 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -78.08 -42.01 33.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.948 0.499 . . . . 50.0 110.94 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 78.0 m-85 -84.0 0.12 49.35 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.571 -0.74 . . . . 50.0 111.278 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.0 tptt . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.358 -0.837 . . . . 50.0 109.717 178.027 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.017 0.437 . . . . 75.0 111.902 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.17 -114.57 0.73 Allowed Glycine 0 C--N 1.334 0.423 0 CA-C-N 114.996 -1.002 . . . . 75.0 111.781 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.608 0.363 . . . . 25.0 110.54 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.33 154.38 41.6 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.743 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 96.9 mt -112.76 137.48 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.525 -0.761 . . . . 75.0 109.065 175.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -141.13 117.58 10.82 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.171 -0.468 . . . . 75.0 109.791 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 63.69 41.07 7.34 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.879 0.872 . . . . 75.0 112.031 -177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 70.67 -7.54 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.705 1.202 . . . . 50.0 113.611 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.92 121.21 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.975 -0.75 . . . . 50.0 108.975 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.447 ' HA ' HG12 ' A' ' 8' ' ' ILE . 47.3 t -81.75 135.93 35.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.037 -0.529 . . . . 75.0 111.273 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.77 -157.47 8.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.067 -0.97 . . . . 75.0 113.013 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 93.3 mt -126.3 138.74 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.189 -0.506 . . . . 75.0 109.847 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.534 HD13 HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.76 135.43 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 116.074 -0.512 . . . . 75.0 110.392 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 141.14 42.32 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.989 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.54 129.59 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.338 0.589 . . . . 75.0 110.633 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' ND2' ' HG1' ' A' ' 28' ' ' THR . 83.9 m-20 -96.63 105.67 17.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.562 -1.199 . . . . 50.0 111.405 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -121.29 168.29 11.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.083 -0.71 . . . . 75.0 109.083 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 71.46 3.7 4.77 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 123.733 0.813 . . . . 50.0 111.691 -172.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.47 -172.5 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 114.275 -1.329 . . . . 50.0 110.167 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -73.64 159.83 83.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 105.27 -2.122 . . . . 50.0 105.27 171.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.78 130.28 2.76 Favored 'Trans proline' 0 C--N 1.374 1.911 0 CA-C-N 122.193 1.819 . . . . 50.0 114.029 -139.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.4 138.55 7.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 113.826 -1.534 . . . . 25.0 113.462 -168.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.57 171.29 10.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.371 -1.741 . . . . 75.0 110.808 -169.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 16' ' ' ILE . 59.9 tp -121.29 121.39 37.59 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.701 -0.852 . . . . 75.0 108.701 167.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 ' HG1' ' ND2' ' A' ' 19' ' ' ASN . 97.0 m -114.33 107.98 16.29 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.795 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.672 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 70.1 t90 -84.53 136.2 33.9 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.549 -0.751 . . . . 50.0 109.218 170.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 74.9 mtp85 -126.76 165.73 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.392 -0.822 . . . . 75.0 110.006 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.657 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 86.6 p -73.77 166.53 23.15 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 175.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 m -53.77 -29.96 42.42 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 25.0 112.763 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -99.66 -31.34 11.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.322 -0.399 . . . . 50.0 110.589 170.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.657 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . 105.8 18.94 10.78 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.572 -0.74 . . . . 75.0 114.204 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.92 -30.38 69.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.891 0.345 . . . . 75.0 110.835 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 60.5 mttp -106.15 143.27 34.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.468 -0.567 . . . . 75.0 109.468 173.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.32 136.7 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 116.48 -0.327 . . . . 50.0 111.818 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.672 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -133.14 146.83 51.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.845 -0.616 . . . . 50.0 109.628 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -129.33 140.7 51.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.09 0.472 . . . . 25.0 111.895 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -126.48 108.16 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 115.06 -0.973 . . . . 50.0 109.584 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.15 122.68 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.51 -21.7 52.34 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.645 0.98 . . . . 75.0 113.645 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -67.95 -4.05 11.86 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.227 0.537 . . . . 50.0 110.569 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.25 3.21 14.22 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.218 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.453 HG21 HD22 ' A' ' 48' ' ' LEU . 48.0 mm -109.1 139.67 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.411 -0.813 . . . . 75.0 109.329 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -105.32 -49.56 3.42 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 50.0 111.524 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' HD23 ' A' ' 48' ' ' LEU . 57.7 mttp -132.21 174.98 9.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 122.611 0.364 . . . . 75.0 111.294 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 104' ' ' LEU . 15.3 mt -150.61 137.6 19.22 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.236 -0.653 . . . . 50.0 109.236 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -134.33 118.84 17.95 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.573 0.212 . . . . 75.0 111.573 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.687 ' HB3' ' SD ' ' A' ' 97' ' ' MET . . . -112.2 152.48 28.35 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.292 0.478 . . . . 50.0 112.292 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.769 ' CG2' ' H ' ' A' ' 59' ' ' MET . 9.2 t -71.33 122.46 87.14 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 123.252 0.621 . . . . 50.0 111.523 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.01 163.55 4.17 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.014 2.476 . . . . 75.0 113.463 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -12.82 61.5 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.986 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -95.76 -16.7 21.75 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.896 -0.593 . . . . 75.0 111.367 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 57' ' ' LYS . 29.5 t -68.97 146.29 52.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.339 0.656 . . . . 50.0 112.545 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -4.95 2.36 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.776 -1.102 . . . . 50.0 112.564 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 51' ' ' THR . 75.9 mmtt -120.73 147.13 45.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.72 -1.127 . . . . 75.0 112.667 -163.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.699 ' HA ' HG22 ' A' ' 51' ' ' THR . 73.3 mtm -120.03 95.84 4.92 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.701 -1.136 . . . . 75.0 108.701 168.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.769 ' H ' ' CG2' ' A' ' 51' ' ' THR . 8.0 ptp -156.02 159.04 38.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.431 -0.804 . . . . 75.0 111.837 -174.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 15.0 tp -135.44 119.51 17.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.927 -1.033 . . . . 50.0 109.05 178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 91.7 mtt-85 -104.68 144.29 31.92 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.314 0.578 . . . . 75.0 112.006 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 5.5 mp -123.91 107.82 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.767 -1.106 . . . . 50.0 110.517 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.3 mt -85.44 130.24 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 115.49 -0.777 . . . . 50.0 109.956 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.77 170.98 35.53 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.711 -0.677 . . . . 50.0 113.854 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.237 0.426 0 N-CA-C 112.544 0.572 . . . . 75.0 112.544 -177.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 75.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -83.42 -15.99 47.57 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.188 0.44 . . . . 50.0 112.188 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.42 33.64 0.69 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.372 0.669 . . . . 75.0 111.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -46.49 120.45 2.89 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.035 0.934 . . . . 75.0 112.376 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -99.74 151.61 21.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 50.0 110.539 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.38 141.61 51.84 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.103 -0.499 . . . . 75.0 109.891 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -83.76 -170.03 2.87 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.89 -0.595 . . . . 50.0 111.891 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.07 -31.66 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.498 0.925 . . . . 75.0 113.498 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -90.01 -15.82 31.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.987 0.365 . . . . 50.0 111.987 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.85 30.37 Favored Glycine 0 C--N 1.34 0.769 0 O-C-N 123.365 0.416 . . . . 50.0 112.806 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.58 145.12 27.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.546 0.338 . . . . 75.0 110.163 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.495 ' HG2' HG21 ' A' ' 81' ' ' VAL . 88.1 tt0 -73.42 117.36 15.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.174 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.76 100.83 8.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.257 -0.883 . . . . 50.0 109.146 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.495 HG21 ' HG2' ' A' ' 79' ' ' GLU . 66.0 t -98.98 128.92 30.84 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 115.148 -0.933 . . . . 50.0 111.811 -170.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 122.3 8.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.719 2.279 . . . . 75.0 111.672 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.548 0.897 0 CA-C-N 114.668 -1.151 . . . . 75.0 112.877 -172.022 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.671 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 90.0 m-70 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 109.868 -0.419 . . . . 75.0 109.868 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.4 ttp -139.83 143.29 36.73 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.996 0.427 . . . . 75.0 111.17 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -135.18 129.53 33.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.227 -0.897 . . . . 50.0 109.328 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.743 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 13.8 t -87.55 141.27 28.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.354 0.597 . . . . 75.0 111.908 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.506 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 11.9 m-85 -123.94 175.4 6.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.7 -1.137 . . . . 50.0 111.539 -172.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -123.21 -17.1 6.73 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.136 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -146.12 128.28 15.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.867 0.365 . . . . 75.0 110.964 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -58.46 -20.43 45.17 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.882 0.873 . . . . 75.0 113.304 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.1 p -75.43 -31.72 60.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.187 0.304 . . . . 25.0 111.45 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.5 -62.11 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.371 -0.603 . . . . 50.0 109.371 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.687 ' SD ' ' HB3' ' A' ' 50' ' ' ALA . 39.8 ttp -48.66 -31.77 7.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.101 0.96 . . . . 50.0 113.538 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -81.21 -22.49 38.78 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.697 0.258 . . . . 50.0 111.697 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 -33.86 19.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.65 0.38 . . . . 75.0 111.734 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.72 -52.27 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.158 -0.682 . . . . 50.0 109.158 173.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -55.28 -40.06 70.57 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.682 0.793 . . . . 75.0 111.84 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.6 ttp -54.81 -49.4 71.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.215 0.606 . . . . 75.0 111.426 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.7 m -62.21 -57.44 11.43 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.245 0.341 . . . . 25.0 110.129 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' A' ' 48' ' ' LEU . 85.1 mt -43.84 -59.48 2.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.909 0.884 . . . . 50.0 110.795 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -50.75 -30.31 13.65 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.125 0.97 . . . . 75.0 113.496 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.06 -20.59 28.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 75.0 111.132 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.9 -42.07 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.143 0.577 . . . . 75.0 111.508 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.46 -34.85 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 117.699 0.227 . . . . 50.0 110.934 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -63.79 -16.99 62.62 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.617 0.573 . . . . 50.0 111.735 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.48 -41.64 23.98 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.267 -0.424 . . . . 50.0 110.468 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -82.11 -2.47 52.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.349 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 115.377 -0.829 . . . . 75.0 109.999 178.745 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 97.3 p . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.739 0.304 . . . . 75.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.17 -131.32 1.28 Allowed Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.632 -0.713 . . . . 75.0 111.906 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.36 130.76 41.13 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.417 0.151 . . . . 25.0 110.72 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.497 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.24 151.57 40.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.654 -178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.724 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 74.8 mt -113.0 132.09 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 109.257 -0.646 . . . . 75.0 109.257 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -137.8 116.41 12.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.187 -0.46 . . . . 75.0 109.93 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.19 39.9 7.2 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.883 0.873 . . . . 75.0 111.75 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 69.21 -4.68 1.23 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.697 1.199 . . . . 50.0 113.594 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.23 113.99 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.706 -0.85 . . . . 50.0 108.706 171.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -74.5 133.14 42.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.081 -0.509 . . . . 50.0 111.034 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.14 -160.06 8.65 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.224 -0.898 . . . . 75.0 113.516 -174.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -127.28 133.19 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 114.822 -0.689 . . . . 75.0 109.972 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 HD13 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 132.72 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.635 -179.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.21 135.8 37.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 25.0 111.224 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -96.24 134.66 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 121.794 0.807 . . . . 50.0 110.645 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -100.44 105.73 17.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.663 -1.608 . . . . 50.0 111.132 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' OE2' HD11 ' A' ' 107' ' ' ILE . 92.9 mt-10 -119.72 167.89 11.61 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.041 -0.726 . . . . 75.0 109.041 173.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 73.71 1.12 3.84 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.961 0.905 . . . . 50.0 110.639 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -103.03 -172.65 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 114.711 -1.132 . . . . 50.0 110.107 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.77 160.84 81.09 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 105.942 -1.873 . . . . 75.0 105.942 171.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -40.95 128.99 2.87 Favored 'Trans proline' 0 C--N 1.37 1.702 0 CA-C-N 121.856 1.698 . . . . 50.0 113.664 -139.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.6 137.0 9.58 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.041 -1.436 . . . . 25.0 113.264 -168.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.5 mt-10 -121.54 172.17 8.28 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.403 -1.726 . . . . 75.0 111.041 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 22.8 tp -128.27 105.56 8.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.353 -0.98 . . . . 75.0 108.353 174.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -105.46 111.55 24.3 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.376 -171.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.2 t90 -85.87 137.52 32.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.662 -0.699 . . . . 50.0 109.532 170.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -129.57 167.41 17.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.15 -0.932 . . . . 75.0 109.03 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.495 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.5 p -77.34 170.69 16.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.527 -0.546 . . . . 50.0 109.527 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.408 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.8 OUTLIER -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.524 0.602 . . . . 25.0 112.546 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.32 -31.04 13.09 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 169.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.91 18.29 15.93 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.258 -0.883 . . . . 75.0 113.753 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -68.43 -29.33 67.97 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.782 0.433 . . . . 50.0 111.642 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 1.2 mttp -104.36 140.9 37.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.108 -0.701 . . . . 75.0 109.108 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -149.12 140.57 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 N-CA-C 112.334 0.494 . . . . 50.0 112.334 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.543 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 96.6 m-70 -137.03 147.49 46.23 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.504 -0.771 . . . . 50.0 109.267 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.5 m -129.28 131.4 46.98 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 93.4 t -116.61 107.82 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.376 -0.829 . . . . 50.0 110.217 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -80.53 122.41 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.602 -0.888 . . . . 50.0 108.602 175.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 104' ' ' LEU . 3.4 mm? -77.32 -23.78 50.92 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.057 1.132 . . . . 75.0 114.057 -171.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -67.02 -3.5 7.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.186 0.517 . . . . 50.0 110.577 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.3 p -115.51 -2.85 12.44 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.722 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.05 144.62 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.741 0.816 . . . . 75.0 109.338 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -110.18 -45.41 3.59 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.349 -0.387 . . . . 50.0 111.861 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.61 ' HB2' HD11 ' A' ' 63' ' ' ILE . 63.0 mttp -133.06 174.67 10.11 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.943 0.401 . . . . 75.0 111.909 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 7.1 tt -150.17 129.86 13.19 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.765 -0.828 . . . . 50.0 108.765 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.565 ' N ' HD21 ' A' ' 48' ' ' LEU . 18.5 mt-30 -127.26 114.55 17.77 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.751 0.31 . . . . 75.0 111.677 -176.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.41 157.85 21.39 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.85 HG21 ' HA ' ' A' ' 58' ' ' MET . 4.8 t -75.34 125.22 89.14 Favored Pre-proline 0 N--CA 1.481 1.108 0 CA-C-N 115.756 -0.656 . . . . 50.0 111.411 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -57.8 163.26 9.49 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.715 2.277 . . . . 75.0 112.984 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.33 55.87 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.997 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.8 p -95.59 -17.65 21.21 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.89 -0.595 . . . . 75.0 110.958 173.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.46 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -70.84 140.97 51.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.696 -0.683 . . . . 50.0 112.57 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.92 -17.42 64.33 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.968 -1.015 . . . . 50.0 111.773 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.68 154.99 16.93 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.769 -1.105 . . . . 50.0 112.978 -172.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.85 ' HA ' HG21 ' A' ' 51' ' ' THR . 75.2 mtm -127.65 99.03 5.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.823 -1.081 . . . . 75.0 108.991 169.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.813 ' H ' HG23 ' A' ' 51' ' ' THR . 11.1 ptp -155.67 158.42 38.25 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.759 -0.655 . . . . 50.0 111.861 -173.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.61 118.31 11.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.086 -0.961 . . . . 50.0 108.999 176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 67.4 mtp85 -103.29 145.99 29.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.194 0.521 . . . . 75.0 111.711 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -126.69 106.67 9.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.801 -1.09 . . . . 50.0 109.956 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.61 HD11 ' HB2' ' A' ' 47' ' ' LYS . 8.2 mt -85.64 129.41 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.112 -173.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.88 159.52 34.46 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.763 -0.653 . . . . 50.0 113.089 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 112.912 0.708 . . . . 75.0 112.912 -177.536 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 113.359 0.874 . . . . 75.0 113.359 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -81.3 2.68 27.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.655 0.382 . . . . 50.0 111.711 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -91.69 27.42 2.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.01 0.524 . . . . 75.0 111.245 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -47.93 119.09 2.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.905 0.882 . . . . 75.0 112.399 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -105.94 154.56 20.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.334 -0.848 . . . . 50.0 110.303 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.66 143.7 51.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.41 -0.359 . . . . 75.0 110.116 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -85.18 -171.11 3.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.775 -0.648 . . . . 50.0 111.695 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.89 -31.64 66.94 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.315 0.857 . . . . 75.0 113.315 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -88.77 -18.07 28.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.87 0.322 . . . . 50.0 111.87 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 14.71 31.48 Favored Glycine 0 C--N 1.343 0.94 0 C-N-CA 121.505 -0.378 . . . . 50.0 113.552 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -83.58 147.99 27.43 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.114 -0.328 . . . . 75.0 110.114 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.625 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -75.03 114.01 13.02 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.278 -174.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.64 100.98 11.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.229 -0.896 . . . . 50.0 109.235 176.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.53 126.74 44.44 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 115.338 -0.847 . . . . 50.0 111.548 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.21 127.55 15.2 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.827 2.351 . . . . 75.0 112.378 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.539 0.545 0 CA-C-N 115.175 -0.92 . . . . 75.0 111.717 -174.823 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 . . . . . 0 CA--C 1.537 0.448 0 CA-C-O 120.773 0.321 . . . . 75.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.7 ttt -100.04 138.62 36.86 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.046 -0.524 . . . . 75.0 110.995 -175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -131.15 126.67 36.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.423 -0.808 . . . . 50.0 109.596 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.724 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 22.6 t -81.76 136.18 35.44 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.328 0.585 . . . . 75.0 111.219 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' HB2' ' HE1' ' A' ' 97' ' ' MET . 8.9 m-85 -117.01 175.57 5.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.921 -1.036 . . . . 50.0 111.612 -173.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -122.66 -15.22 7.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.5 -0.773 . . . . 75.0 111.299 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -151.24 132.15 14.2 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.956 0.502 . . . . 75.0 110.457 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.616 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 10.6 mpt_? -62.5 -18.32 61.63 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.481 0.919 . . . . 75.0 113.481 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 p -75.78 -29.35 58.74 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.089 0.243 . . . . 25.0 111.308 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.5 -62.5 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.616 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 22.8 ptp -46.63 -32.95 3.82 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.145 0.978 . . . . 50.0 113.438 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -80.11 -24.76 40.31 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.058 0.224 . . . . 50.0 111.583 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -85.61 -31.31 22.68 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.413 0.446 . . . . 75.0 111.762 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.649 HG22 ' CD2' ' A' ' 104' ' ' LEU . 32.0 mm -71.56 -53.11 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 172.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -50.93 -43.95 60.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.7 0.8 . . . . 75.0 111.78 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.53 -51.79 64.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.242 0.617 . . . . 75.0 111.641 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -61.09 2.88 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.649 ' CD2' HG22 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -43.25 -59.42 2.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.288 1.035 . . . . 50.0 110.978 177.059 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -49.65 -32.36 12.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.139 0.975 . . . . 75.0 113.597 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.29 -20.65 34.04 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.401 0.438 . . . . 75.0 111.225 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.684 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 60.5 mt -85.62 -34.25 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 123.546 0.738 . . . . 75.0 111.664 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.1 -43.14 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 118.181 0.446 . . . . 50.0 110.88 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 89.0 p -63.16 -22.54 66.93 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.195 0.522 . . . . 50.0 110.386 173.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.684 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 50.1 tpt85 -68.64 -39.02 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.612 1.165 . . . . 75.0 111.253 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -90.27 -6.79 54.77 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.841 -0.618 . . . . 50.0 111.83 175.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 64.6 tttm . . . . . 0 CA--C 1.535 0.381 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.158 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo . . . . . 0 N--CA 1.488 1.197 0 N-CA-C 111.332 -0.295 . . . . 25.0 111.332 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -127.37 -35.2 2.2 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.25 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.672 ' CD2' HG22 ' A' ' 103' ' ' THR . 74.7 m80 70.71 -31.53 0.22 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.527 1.131 . . . . 75.0 112.991 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.6 t -128.77 143.46 50.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.988 0.423 . . . . 50.0 110.923 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.51 -119.33 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.175 -0.921 . . . . 75.0 111.957 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.14 123.63 10.37 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.751 0.42 . . . . 25.0 110.321 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 16' ' ' ILE . . . -141.0 152.87 45.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.529 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 86.8 mt -112.63 138.24 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.736 -0.665 . . . . 75.0 109.27 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -140.91 121.73 14.42 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.912 -0.586 . . . . 75.0 109.636 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 61.12 39.47 16.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.714 0.806 . . . . 75.0 112.06 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.61 -6.35 1.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.581 1.152 . . . . 75.0 113.767 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.53 120.86 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -81.96 137.0 35.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.513 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.65 -158.89 8.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.081 -0.963 . . . . 75.0 112.873 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.73 138.71 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.402 -0.592 . . . . 75.0 109.402 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 140.04 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.545 -178.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.0 140.91 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.469 0.481 . . . . 25.0 111.129 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 96.1 mt -98.27 140.26 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.427 0.632 . . . . 75.0 109.964 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.5 t30 -110.88 100.2 8.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.425 -1.261 . . . . 50.0 110.54 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -122.56 167.36 13.48 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.582 -0.525 . . . . 75.0 109.582 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.16 2.5 4.34 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.932 0.893 . . . . 50.0 110.594 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.72 -173.45 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.785 -1.098 . . . . 50.0 110.517 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.47 159.91 82.41 Favored Pre-proline 0 N--CA 1.471 0.601 0 N-CA-C 105.319 -2.104 . . . . 50.0 105.319 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.88 130.07 4.17 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.425 1.902 . . . . 50.0 113.502 -140.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.02 132.25 15.42 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.975 -1.466 . . . . 25.0 112.79 -167.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -128.79 141.84 51.18 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.016 -0.993 . . . . 75.0 113.093 -173.058 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 47.8 tp -96.72 105.12 17.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.497 -1.297 . . . . 75.0 107.497 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -104.87 107.99 19.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.373 -1.285 . . . . 25.0 111.187 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -85.3 131.94 34.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.518 -0.765 . . . . 50.0 109.445 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -126.18 157.25 38.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 75.0 109.604 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.708 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 79.7 p -67.93 167.92 12.76 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.2 -0.429 . . . . 50.0 109.971 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.45 -30.08 51.66 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -98.69 -31.65 11.8 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.219 -0.446 . . . . 50.0 109.954 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.708 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . 103.99 17.96 15.0 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 115.596 -0.729 . . . . 75.0 113.898 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.5 p-10 -69.08 -28.92 66.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.602 0.361 . . . . 50.0 111.517 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 3.7 mttp -107.12 138.49 43.19 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.129 -0.693 . . . . 75.0 109.129 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.18 132.5 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 120.955 0.407 . . . . 50.0 111.788 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -124.89 144.26 50.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.449 -0.796 . . . . 50.0 109.216 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -128.92 129.18 45.15 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.5 t -114.73 107.68 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.592 -0.731 . . . . 50.0 110.507 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.41 118.62 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.57 -0.9 . . . . 50.0 108.57 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.52 -17.63 59.16 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.311 0.856 . . . . 75.0 113.311 -171.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -70.37 -4.05 20.44 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.114 0.483 . . . . 50.0 110.413 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.79 -0.24 12.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.048 -0.978 . . . . 25.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.0 mm -103.29 141.57 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.433 0.693 . . . . 75.0 109.758 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -108.84 -42.54 4.45 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 50.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.609 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 96.7 mttt -133.5 171.87 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.46 129.65 12.75 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 115.434 -0.803 . . . . 50.0 109.141 177.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 HE21 ' CD1' ' B' ' 546' ' ' LEU . 42.2 mt-30 -127.67 125.29 39.82 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.691 0.223 . . . . 75.0 110.854 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.52 151.9 35.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.177 0.436 . . . . 50.0 112.177 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.663 HG21 ' HA ' ' A' ' 58' ' ' MET . 9.2 t -67.75 120.57 74.54 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 122.987 0.515 . . . . 75.0 111.357 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.4 164.03 7.61 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.648 2.232 . . . . 75.0 113.176 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.25 -7.66 53.49 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.782 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -93.81 -18.06 22.43 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.772 -0.649 . . . . 50.0 110.922 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -73.54 139.5 45.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.733 -0.667 . . . . 50.0 112.223 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.19 -14.46 60.67 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.108 -0.951 . . . . 50.0 111.981 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' HG21 ' A' ' 51' ' ' THR . 73.8 mmtt -97.58 150.74 20.8 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.699 -1.137 . . . . 50.0 113.114 -170.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.663 ' HA ' HG21 ' A' ' 51' ' ' THR . 66.4 mtm -120.64 97.85 5.75 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.085 -0.961 . . . . 75.0 109.102 168.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.566 ' H ' ' CG2' ' A' ' 51' ' ' THR . 10.0 ptp -157.6 160.66 38.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.876 -0.602 . . . . 75.0 111.603 -174.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.1 tp -142.17 119.53 11.57 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.511 -0.768 . . . . 50.0 109.426 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' NE ' ' HD3' ' A' ' 86' ' ' ARG . 17.4 ttp180 -99.91 145.78 27.41 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.829 0.347 . . . . 75.0 111.138 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -127.86 114.1 16.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.598 -0.728 . . . . 50.0 109.86 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 6.1 mt -93.62 125.27 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.853 -0.612 . . . . 50.0 110.117 -170.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.65 166.33 41.35 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.542 -0.754 . . . . 50.0 113.472 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.2 118.55 26.68 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.532 0.567 . . . . 75.0 112.532 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 84' ' ' PRO . 1.8 t -121.48 148.16 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 114.858 -1.065 . . . . 50.0 110.667 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -89.78 101.24 13.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.02 -0.991 . . . . 75.0 109.188 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.62 -1.87 58.03 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.73 0.641 . . . . 75.0 112.73 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.6 p -79.16 -1.81 37.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.712 0.291 . . . . 50.0 111.729 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -97.19 34.51 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.784 -0.644 . . . . 75.0 110.874 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -46.02 121.79 3.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.159 0.984 . . . . 75.0 112.425 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -102.61 152.14 21.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.541 -0.754 . . . . 75.0 109.891 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.28 147.9 50.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.316 -0.402 . . . . 75.0 110.368 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' OD2' ' HB2' ' A' ' 78' ' ' ASN . 10.7 p30 -83.72 -175.72 5.95 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.518 -0.765 . . . . 75.0 111.294 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.38 -32.42 64.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.458 0.91 . . . . 75.0 113.458 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.27 -11.91 36.72 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.755 0.28 . . . . 50.0 111.755 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.17 8.5 Favored Glycine 0 C--N 1.34 0.784 0 CA-C-N 116.243 -0.435 . . . . 50.0 112.8 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' HB2' ' OD2' ' A' ' 74' ' ' ASP . 72.7 m-20 -88.27 140.25 29.67 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.6 0.36 . . . . 75.0 110.41 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.8 tt0 -72.88 114.56 11.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.149 -0.478 . . . . 50.0 110.991 -175.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.2 100.63 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 115.307 -0.861 . . . . 50.0 109.039 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.6 t -98.05 127.04 38.1 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.137 -0.938 . . . . 50.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.45 128.68 20.76 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.0 112.696 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.4 151.85 38.91 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.23 -0.895 . . . . 75.0 112.52 -173.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 58.7 Cg_endo -70.86 153.45 63.89 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.938 2.425 . . . . 75.0 113.54 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -91.69 136.23 33.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.394 -0.821 . . . . 75.0 111.15 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 56.8 mtt85 -114.76 139.08 49.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.56 -0.745 . . . . 75.0 110.394 -173.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 -110.68 115.28 29.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.843 0.457 . . . . 75.0 110.829 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 94.8 mtp -96.61 147.06 24.27 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.678 0.275 . . . . 75.0 111.186 -176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -137.66 126.62 24.17 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.842 -0.617 . . . . 50.0 109.692 174.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.529 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -83.87 144.58 29.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.972 0.415 . . . . 75.0 111.299 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.32 176.1 8.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.39 -0.823 . . . . 50.0 111.786 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -122.13 -15.59 7.7 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.63 -0.714 . . . . 75.0 111.517 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -142.36 143.6 32.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.85 0.46 . . . . 75.0 111.106 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 94' ' ' ARG . 30.2 mmt-85 -79.5 -18.39 52.08 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.87 -0.604 . . . . 75.0 112.251 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.9 -19.34 57.54 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.378 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.75 -62.21 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.27 -0.641 . . . . 50.0 109.27 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptp -46.14 -39.84 10.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 112.908 0.707 . . . . 50.0 112.908 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.4 -25.06 62.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.785 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.15 -32.84 19.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.003 0.521 . . . . 75.0 111.954 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.08 -53.5 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -54.21 -41.43 68.63 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.999 0.92 . . . . 75.0 112.156 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -53.0 58.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.105 0.562 . . . . 75.0 111.411 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.672 HG22 ' CD2' ' A' ' 3' ' ' HIS . 83.9 m -60.96 -56.95 15.03 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.278 0.361 . . . . 25.0 110.17 176.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 27' ' ' LEU . 98.7 mt -43.66 -58.56 2.61 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.944 0.898 . . . . 50.0 110.8 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -50.38 -31.57 15.13 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.475 0.917 . . . . 75.0 113.475 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -84.01 -20.32 32.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.139 -0.482 . . . . 75.0 110.974 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.73 -44.83 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.392 0.677 . . . . 75.0 111.471 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.3 -33.09 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.2 0.2 . . . . 50.0 110.893 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.6 p -65.35 -19.12 65.81 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.754 0.659 . . . . 50.0 111.767 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.84 -41.14 30.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.624 0.37 . . . . 50.0 110.71 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -83.87 -1.67 54.91 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.348 -0.842 . . . . 50.0 111.229 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -89.73 -30.5 17.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.518 -0.764 . . . . 50.0 110.157 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -89.43 -33.46 16.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.458 -0.792 . . . . 50.0 111.295 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.76 86.69 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.94 0.896 . . . . 25.0 112.431 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 58.6 t0 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.986 -1.006 . . . . 50.0 110.268 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.508 -0.237 . . . . 25.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.2 t -130.95 131.09 23.01 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-O 119.478 -0.296 . . . . 50.0 111.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.73 145.81 37.37 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.352 2.035 . . . . 75.0 113.249 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -140.48 171.79 23.84 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.976 -0.557 . . . . 50.0 113.019 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -104.3 107.86 58.7 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 122.451 0.3 . . . . 50.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -66.79 135.34 37.94 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.41 2.073 . . . . 75.0 112.916 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -118.05 133.65 55.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.882 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -148.5 68.91 0.35 Allowed Glycine 0 C--N 1.337 0.597 0 CA-C-N 115.867 -0.606 . . . . 50.0 112.56 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 89.7 mt -122.45 38.03 4.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.17 0.509 . . . . 50.0 111.569 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.03 -4.72 42.82 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.07 -0.514 . . . . 75.0 111.787 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' SER . . . . . 0.418 ' OG ' ' CG ' ' B' ' 533' ' ' ASP . 38.2 t -149.16 -71.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.26 -0.427 . . . . 50.0 110.782 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -164.47 -98.86 0.13 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 112.055 -0.418 . . . . 50.0 112.055 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -152.8 -26.6 0.16 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.709 -0.746 . . . . 50.0 111.349 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -96.76 4.95 51.5 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.879 -0.6 . . . . 75.0 112.515 -176.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . 0.418 ' CG ' ' OG ' ' B' ' 529' ' ' SER . 10.4 m-20 -92.3 -11.12 36.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.294 -0.867 . . . . 75.0 111.225 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.17 -17.63 20.69 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.066 0.395 . . . . 50.0 112.066 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.0 p -87.24 -8.7 56.53 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 123.344 0.403 . . . . 50.0 111.736 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.9 p -85.16 -34.64 22.06 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.244 -0.434 . . . . 75.0 110.943 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 47.8 pt -88.38 -24.06 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.883 -0.599 . . . . 75.0 110.733 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -85.96 8.3 20.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.321 0.582 . . . . 75.0 111.466 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -90.41 -28.68 18.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.006 -0.997 . . . . 75.0 109.316 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.1 mmm -75.45 -17.82 60.05 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.958 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -79.09 -30.66 43.97 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.19 -0.914 . . . . 50.0 112.674 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -25.78 31.49 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.232 0.827 . . . . 75.0 113.232 -170.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.5 p -81.32 -16.58 52.01 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.014 0.375 . . . . 50.0 112.014 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.14 -11.63 37.89 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.69 -37.27 16.85 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.877 0.695 . . . . 50.0 112.877 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . 0.41 ' CD1' HE21 ' A' ' 49' ' ' GLN . 85.1 mt -78.79 -27.79 44.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.913 0.387 . . . . 50.0 111.153 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.0 p -98.27 -49.45 4.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.259 -0.882 . . . . 75.0 111.254 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 53.6 99.87 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.902 0.881 . . . . 75.0 112.706 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 84.9 mt -125.42 134.86 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.486 -0.779 . . . . 50.0 111.066 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 33.3 t -102.68 136.3 42.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.684 -0.689 . . . . 50.0 110.875 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.822 -0.609 . . . . 50.0 110.856 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 111.212 -0.341 . . . . 25.0 111.212 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 4' ' ' SER . 42.8 t -137.8 111.66 8.31 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.923 -0.581 . . . . 25.0 110.449 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.503 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 54.4 m170 -82.73 -5.29 58.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.366 -0.834 . . . . 75.0 110.917 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 2' ' ' SER . 85.6 p -146.97 146.22 30.02 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.821 -0.627 . . . . 50.0 111.119 -177.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.63 -118.34 0.65 Allowed Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.004 -0.998 . . . . 75.0 111.808 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.29 126.65 13.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.618 0.367 . . . . 25.0 110.334 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.26 152.51 41.78 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.71 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.4 mt -111.06 137.31 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.706 -0.679 . . . . 75.0 109.253 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -141.83 118.82 11.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.956 -0.565 . . . . 75.0 109.593 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 63.42 41.12 7.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.826 0.85 . . . . 75.0 111.909 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.23 -8.3 0.87 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.648 1.179 . . . . 75.0 113.51 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -92.98 119.69 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -80.12 135.59 36.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.111 -0.495 . . . . 75.0 111.438 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.37 -158.72 8.49 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.129 -0.941 . . . . 75.0 113.215 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -126.58 137.54 57.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.068 -0.566 . . . . 75.0 109.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 HG12 HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.88 137.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 116.285 -0.416 . . . . 75.0 110.586 -178.253 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.06 44.64 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.148 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 92.7 mt -104.14 131.48 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.369 0.604 . . . . 75.0 110.771 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -98.91 105.31 17.44 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.518 -1.219 . . . . 50.0 111.026 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -122.94 167.72 13.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.478 -0.564 . . . . 75.0 109.478 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 69.59 5.47 5.2 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.628 0.771 . . . . 50.0 111.799 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.69 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 114.257 -1.338 . . . . 50.0 110.228 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -73.99 160.23 82.26 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 105.263 -2.125 . . . . 50.0 105.263 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -40.95 130.01 2.89 Favored 'Trans proline' 0 C--N 1.374 1.881 0 CA-C-N 122.32 1.864 . . . . 50.0 113.74 -139.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.44 139.09 20.52 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.043 -1.435 . . . . 25.0 113.3 -166.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.88 171.38 9.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 113.497 -1.683 . . . . 75.0 110.815 -169.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 HD12 HG12 ' A' ' 16' ' ' ILE . 25.7 tp -122.85 121.31 35.93 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.492 -0.929 . . . . 75.0 108.492 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.5 m -113.22 108.65 17.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.522 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 90.5 t90 -84.58 134.59 34.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.549 -0.75 . . . . 50.0 109.243 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.61 162.96 23.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.326 -0.852 . . . . 75.0 109.91 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.6 p -71.35 169.04 16.12 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -54.86 -30.34 57.54 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.61 0.596 . . . . 25.0 112.61 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.94 -31.35 11.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.359 -0.382 . . . . 75.0 110.551 170.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.86 18.79 11.81 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 115.641 -0.709 . . . . 75.0 113.92 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.2 p-10 -67.82 -29.68 68.9 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.73 0.412 . . . . 50.0 111.234 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -106.97 138.79 42.46 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.038 -0.727 . . . . 75.0 109.038 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.99 132.59 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 120.824 0.345 . . . . 50.0 111.775 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 99.5 m-70 -127.39 148.83 50.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.586 -0.734 . . . . 50.0 109.542 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.93 143.3 50.84 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.127 0.489 . . . . 25.0 111.782 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 62' ' ' LEU . 46.7 t -129.85 107.48 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 114.998 -1.001 . . . . 50.0 109.447 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.7 120.98 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.596 -0.891 . . . . 50.0 108.596 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.89 -21.22 59.35 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.523 0.934 . . . . 75.0 113.523 -171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -68.52 -3.64 12.3 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.267 0.556 . . . . 50.0 110.52 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.22 4.49 14.53 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.881 -1.054 . . . . 25.0 110.228 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.2 mm -111.76 144.91 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.652 0.781 . . . . 75.0 109.769 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -114.19 -45.34 3.06 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.936 -0.575 . . . . 50.0 111.587 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.716 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 24.9 mtmm -132.17 168.42 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.661 0.615 . . . . 75.0 112.661 -176.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.94 129.03 14.56 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.944 -0.762 . . . . 50.0 108.944 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -130.03 114.58 15.97 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 111.553 0.205 . . . . 75.0 111.553 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 60' ' ' LEU . . . -114.18 154.86 27.11 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.749 0.648 . . . . 75.0 112.749 -175.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.52 123.6 89.73 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-N 115.73 -0.668 . . . . 50.0 111.666 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.3 165.56 7.16 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.94 2.427 . . . . 75.0 113.156 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.64 54.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.956 -0.565 . . . . 25.0 112.161 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.5 p -97.1 -17.22 20.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 50.0 111.023 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -70.92 140.6 51.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.653 -0.703 . . . . 50.0 112.765 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -59.73 -24.06 63.71 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.593 -1.185 . . . . 50.0 112.181 174.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.527 ' HE3' ' HB3' ' B' ' 541' ' ' ASP . 66.5 mttm -93.76 153.99 18.01 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.31 -1.313 . . . . 50.0 113.137 -169.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm -125.37 97.86 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.935 -1.029 . . . . 75.0 108.894 169.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.664 ' SD ' ' HB3' ' A' ' 88' ' ' MET . 4.4 ttm -156.04 154.43 31.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.606 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 49.2 tp -136.93 118.9 15.29 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.183 -0.917 . . . . 50.0 108.963 176.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.594 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 14.5 mtm180 -101.12 146.97 26.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.264 0.554 . . . . 75.0 111.824 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD11 HG12 ' A' ' 40' ' ' VAL . 22.1 mt -127.0 103.48 7.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.618 -1.173 . . . . 50.0 109.494 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.716 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 88.7 mt -84.95 129.62 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.78 -0.645 . . . . 50.0 109.576 -174.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.9 162.45 31.32 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.446 -0.797 . . . . 50.0 113.522 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.78 119.61 22.92 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.245 0.545 . . . . 75.0 111.255 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.43 138.5 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.928 -1.033 . . . . 75.0 111.254 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -93.58 89.8 6.4 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.304 -0.862 . . . . 75.0 109.105 171.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -84.66 -1.17 55.72 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.421 -0.809 . . . . 75.0 112.288 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -79.76 -18.8 50.2 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.386 -0.37 . . . . 50.0 111.803 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.32 23.22 1.34 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.235 0.614 . . . . 75.0 111.235 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' HG23 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -48.02 135.6 12.52 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.786 1.032 . . . . 75.0 113.786 -173.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -104.77 156.27 18.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.975 -1.011 . . . . 75.0 110.501 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.73 140.93 52.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 75.0 109.694 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -80.08 -172.0 3.22 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.834 -0.621 . . . . 50.0 112.183 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.78 -31.77 62.89 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.472 0.915 . . . . 75.0 113.472 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -89.97 -22.57 21.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 16.85 12.33 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.443 -0.408 . . . . 50.0 113.387 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -86.63 149.56 24.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 110.056 -0.35 . . . . 75.0 110.056 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HG2' HG22 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.34 118.09 16.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.535 -173.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.18 99.94 6.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.104 -0.953 . . . . 50.0 109.144 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' A' ' 71' ' ' LYS . 11.9 t -99.21 128.16 32.69 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.9 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -58.05 133.79 57.9 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.788 2.325 . . . . 75.0 112.943 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -89.02 154.88 49.83 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.363 -0.835 . . . . 75.0 112.139 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.87 152.71 79.94 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.713 2.275 . . . . 75.0 113.311 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -92.41 130.78 37.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.399 -0.818 . . . . 75.0 111.246 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -118.58 120.12 36.55 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.928 -0.578 . . . . 75.0 110.718 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 6.3 m-70 -99.78 113.04 25.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.062 -0.517 . . . . 75.0 110.969 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.664 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 2.8 mtt -102.23 142.58 33.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.972 0.415 . . . . 75.0 111.265 -175.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -133.49 126.52 31.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.386 -0.825 . . . . 50.0 109.829 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.71 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.6 m -83.39 146.23 28.57 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.841 0.353 . . . . 75.0 111.207 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -129.47 175.78 8.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.666 -0.697 . . . . 50.0 111.965 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -122.36 -14.92 7.77 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.623 -0.717 . . . . 50.0 110.922 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -143.38 143.83 31.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.789 0.436 . . . . 75.0 110.935 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -80.86 -18.38 47.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.88 -0.6 . . . . 75.0 112.549 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -76.98 -19.36 57.41 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.274 0.359 . . . . 25.0 111.112 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -82.3 -63.16 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.249 -0.649 . . . . 50.0 109.249 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.9 ptp -46.82 -39.63 12.27 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.63 -26.92 64.65 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.475 0.484 . . . . 50.0 111.759 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -87.28 -30.84 20.58 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 123.447 0.467 . . . . 75.0 112.171 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -70.77 -54.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.907 -0.775 . . . . 50.0 108.907 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -52.18 -42.23 63.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.213 1.005 . . . . 75.0 112.166 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.1 ttm -53.98 -53.5 52.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.17 0.588 . . . . 75.0 111.603 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.97 -57.8 11.3 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.28 0.363 . . . . 25.0 110.189 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.0 mt -43.54 -58.8 2.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.139 0.976 . . . . 50.0 111.161 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -50.35 -31.72 15.39 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.166 0.986 . . . . 75.0 113.534 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -82.34 -20.3 37.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 75.0 111.007 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.9 mt -83.06 -43.77 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.446 0.698 . . . . 75.0 111.616 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.37 -35.83 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.128 0.171 . . . . 50.0 111.089 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -63.7 -17.73 63.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.618 0.574 . . . . 50.0 111.743 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -78.14 -43.58 28.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.763 0.425 . . . . 50.0 110.906 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.46 -3.33 55.57 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.644 -0.707 . . . . 50.0 111.227 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -86.68 -31.88 20.81 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.396 -0.82 . . . . 50.0 109.809 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -93.91 -22.71 18.44 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.221 -0.899 . . . . 50.0 111.015 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -120.13 67.18 0.83 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.689 0.757 . . . . 25.0 110.789 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.916 -1.04 . . . . 50.0 110.376 179.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.481 -0.248 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.2 t 61.6 120.05 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 50.0 112.228 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.13 -27.38 13.9 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.344 2.029 . . . . 75.0 113.899 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 105.41 -98.58 1.46 Allowed Glycine 0 C--N 1.34 0.804 0 O-C-N 123.413 0.446 . . . . 50.0 112.658 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -117.6 113.27 38.5 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 119.511 -0.28 . . . . 50.0 110.816 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.07 139.16 77.13 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.578 2.185 . . . . 75.0 113.157 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -119.1 140.66 49.74 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.949 -0.569 . . . . 50.0 110.535 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 148.77 -160.12 28.27 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.741 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.2 mt -118.63 24.94 10.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.854 0.359 . . . . 50.0 111.758 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.72 -2.97 25.54 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.111 0.482 . . . . 50.0 111.475 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 40.7 t -156.85 115.15 3.27 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.174 -0.921 . . . . 50.0 109.064 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -100.99 -99.05 2.34 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.194 -0.526 . . . . 50.0 112.662 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -132.11 2.11 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.758 -0.721 . . . . 75.0 111.618 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -125.96 8.49 7.42 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.912 0.485 . . . . 75.0 112.234 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -109.37 8.47 25.48 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.609 -0.723 . . . . 75.0 112.205 -173.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.38 -19.01 24.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.309 0.485 . . . . 75.0 112.309 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 94.3 p -89.52 -3.11 58.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.386 0.429 . . . . 75.0 111.943 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.5 p -86.18 -33.52 20.77 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.456 -0.338 . . . . 75.0 110.754 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -91.7 -26.9 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.74 -0.664 . . . . 50.0 110.66 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.34 7.39 29.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.316 0.579 . . . . 50.0 111.466 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -30.07 11.97 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.997 -1.002 . . . . 75.0 109.162 173.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.1 mmm -71.67 -19.8 62.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.333 -0.848 . . . . 50.0 110.639 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.527 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 8.7 m-20 -73.24 -33.4 65.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.749 -1.114 . . . . 50.0 113.061 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.47 ' HZ ' ' SD ' ' A' ' 59' ' ' MET . 44.1 m-85 -81.61 -31.24 32.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.317 0.858 . . . . 75.0 113.317 -171.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -69.29 -29.24 67.07 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.19 -11.44 38.33 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.3 0.375 . . . . 25.0 111.3 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.81 -33.53 19.83 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.801 -0.636 . . . . 50.0 111.767 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.96 -22.97 22.79 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.861 0.363 . . . . 50.0 111.056 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -90.9 -51.77 5.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.268 -0.878 . . . . 75.0 111.092 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 49.87 68.28 0.77 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.838 0.855 . . . . 50.0 112.737 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 84.8 mt -125.52 127.88 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.631 -0.713 . . . . 50.0 109.659 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 47.7 t 61.89 129.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.173 0.989 . . . . 50.0 112.505 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.252 1.207 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.701 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 N--CA 1.484 0.923 0 N-CA-C 111.72 -0.146 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' HG ' ' CD2' ' A' ' 3' ' ' HIS . 94.7 p -135.19 -170.38 2.57 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.367 -175.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 103' ' ' THR . 16.7 m170 77.16 -48.83 0.53 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.098 1.359 . . . . 75.0 112.537 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 30.4 t -129.73 140.43 51.09 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.219 0.533 . . . . 75.0 112.09 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.12 -116.76 0.54 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 114.725 -1.125 . . . . 75.0 111.662 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.27 129.31 15.47 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 122.579 0.352 . . . . 25.0 110.519 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.72 149.96 36.48 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 64.1 mt -106.56 140.61 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.534 -0.543 . . . . 75.0 109.534 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -144.01 123.03 12.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 75.0 109.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 57.45 41.83 25.51 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.891 0.877 . . . . 75.0 112.061 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 70.85 -3.01 2.1 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.669 1.188 . . . . 75.0 113.027 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -92.06 122.3 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.576 -0.898 . . . . 75.0 108.576 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -81.14 132.27 35.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.125 -0.488 . . . . 50.0 110.212 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.97 -163.28 11.03 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 75.0 113.137 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.69 136.87 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 115.017 -0.592 . . . . 75.0 109.762 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.4 tt -100.43 140.38 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.984 -0.553 . . . . 75.0 110.167 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 146.2 45.54 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.016 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.32 140.23 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.571 0.7 . . . . 75.0 110.582 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.3 t-20 -110.26 99.48 8.51 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.045 -1.434 . . . . 75.0 110.612 -174.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.53 167.84 12.4 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.304 -0.628 . . . . 75.0 109.304 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.78 1.25 3.94 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.015 0.926 . . . . 50.0 110.541 -172.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -103.54 -172.68 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 114.635 -1.166 . . . . 50.0 110.096 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.03 161.59 77.78 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 106.214 -1.772 . . . . 75.0 106.214 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.96 129.36 4.21 Favored 'Trans proline' 0 C--N 1.372 1.802 0 CA-C-N 121.902 1.715 . . . . 50.0 113.255 -142.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.03 134.71 13.57 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.139 -1.391 . . . . 25.0 113.033 -165.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -130.89 139.63 50.13 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.941 -1.027 . . . . 75.0 112.951 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 62' ' ' LEU . 37.7 tp -95.69 109.14 21.46 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.166 -1.05 . . . . 75.0 108.166 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -102.76 107.07 17.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.084 -1.416 . . . . 25.0 110.54 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -84.5 136.5 33.79 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.723 -0.671 . . . . 50.0 109.518 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HG2' HG22 ' A' ' 37' ' ' VAL . 82.3 mtm180 -127.88 159.91 33.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.138 -0.937 . . . . 75.0 110.215 174.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -70.85 169.14 15.29 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.418 -0.586 . . . . 50.0 109.418 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -28.07 61.22 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.722 0.692 . . . . 25.0 112.535 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -99.55 -29.99 12.4 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.291 -0.413 . . . . 50.0 109.985 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.42 18.64 20.73 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-N 115.584 -0.734 . . . . 75.0 113.63 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.35 -28.48 65.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.468 0.307 . . . . 75.0 110.595 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HE2' ' HE2' ' A' ' 38' ' ' HIS . 73.6 tttt -109.98 128.19 55.24 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.355 -0.609 . . . . 75.0 109.355 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.459 HG22 ' HG2' ' A' ' 30' ' ' ARG . 45.8 t -139.25 128.38 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 116.297 -0.411 . . . . 50.0 111.486 -175.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HE2' ' HE2' ' A' ' 36' ' ' LYS . 96.6 m-70 -120.21 149.76 41.75 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.503 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.0 142.99 50.73 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.118 0.485 . . . . 25.0 111.506 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.7 t -132.02 106.95 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.225 -0.898 . . . . 50.0 109.955 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' A' ' 44' ' ' THR . 90.2 t -82.43 117.25 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.602 -0.888 . . . . 50.0 108.602 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.66 -18.3 60.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.548 0.944 . . . . 75.0 113.548 -170.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.429 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.68 -3.97 17.52 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.038 0.447 . . . . 75.0 110.779 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 71.3 p -115.1 7.89 15.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.24 -0.891 . . . . 25.0 110.139 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.5 mm -114.68 137.19 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.709 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -107.93 -42.04 4.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.874 -0.603 . . . . 50.0 111.397 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.59 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.8 mttt -132.99 170.28 15.6 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.846 0.684 . . . . 50.0 112.846 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.69 126.12 10.12 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 90.9 mt-30 -127.32 117.95 23.23 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.506 0.194 . . . . 75.0 110.926 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.594 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.18 160.15 17.87 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.289 0.477 . . . . 75.0 112.289 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.0 p -77.57 121.55 84.51 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-N 115.889 -0.596 . . . . 50.0 111.008 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.37 165.98 3.84 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.971 2.448 . . . . 75.0 113.344 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -10.87 60.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.704 -0.68 . . . . 25.0 112.03 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -99.34 -8.57 24.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.115 -0.493 . . . . 50.0 110.977 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.689 ' HG ' ' H ' ' A' ' 57' ' ' LYS . 29.8 t -78.46 139.75 38.68 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.142 0.496 . . . . 50.0 112.116 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.1 mp0 -61.52 -16.69 49.91 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.977 -1.011 . . . . 50.0 111.791 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.689 ' H ' ' HG ' ' A' ' 55' ' ' SER . 40.2 mttm -99.39 157.29 16.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.654 -1.157 . . . . 75.0 112.977 -173.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.0 mtm -133.31 100.86 4.97 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.757 -1.11 . . . . 75.0 110.07 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.558 ' O ' ' SD ' ' A' ' 97' ' ' MET . 65.5 mtt -157.55 156.13 31.43 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.606 -1.179 . . . . 75.0 111.074 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 51.7 tp -135.6 118.57 16.34 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.53 -0.759 . . . . 50.0 109.166 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' NH1' ' HB2' ' A' ' 88' ' ' MET . 62.9 mtt-85 -103.66 142.84 33.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.069 0.461 . . . . 75.0 111.606 -176.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 66.7 mt -124.33 106.19 10.05 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.03 -0.986 . . . . 50.0 110.108 -178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -85.53 134.69 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.518 -0.764 . . . . 50.0 110.203 -173.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.7 159.94 27.28 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 115.886 -0.597 . . . . 50.0 113.878 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -84.48 112.2 20.17 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.447 0.642 . . . . 75.0 112.105 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.53 149.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.508 -1.223 . . . . 50.0 110.821 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -95.59 103.04 14.9 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.146 -0.933 . . . . 75.0 109.789 174.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -84.8 -1.82 56.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.581 -0.736 . . . . 75.0 112.118 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -80.4 -22.95 40.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.362 -0.381 . . . . 50.0 111.919 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.02 132.63 35.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.775 0.43 . . . . 75.0 111.357 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.9 128.03 43.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.689 -0.687 . . . . 75.0 111.391 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 36.4 ttp85 -111.98 153.15 27.23 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.927 -0.579 . . . . 75.0 109.674 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.62 140.76 51.61 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.359 -0.382 . . . . 75.0 109.98 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.25 -174.99 4.84 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.976 -0.556 . . . . 50.0 111.458 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.01 -31.95 69.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.669 0.618 . . . . 75.0 112.669 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.22 -30.51 57.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.099 0.407 . . . . 50.0 112.099 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.06 15.86 13.64 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.285 0.366 . . . . 50.0 113.358 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.8 149.39 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.441 0.296 . . . . 75.0 110.527 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.612 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.3 pm0 -76.27 109.66 10.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.332 0.587 . . . . 50.0 111.341 -174.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 99.5 t -117.38 119.6 62.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 114.746 -1.116 . . . . 50.0 109.918 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.0 127.17 41.85 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 119.365 -0.35 . . . . 75.0 110.569 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -66.0 126.5 15.96 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.937 2.425 . . . . 75.0 113.71 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.99 155.65 37.28 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 114.864 -1.062 . . . . 75.0 111.581 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.76 147.03 49.66 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.809 2.339 . . . . 75.0 114.105 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.17 138.92 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.516 -1.22 . . . . 75.0 110.846 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HD2' ' OD1' ' B' ' 539' ' ' ASP . 89.7 mtt180 -115.71 135.49 53.99 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.064 -0.516 . . . . 75.0 110.607 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 93.9 m-70 -107.3 112.74 25.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.586 0.354 . . . . 75.0 110.675 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.548 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 65.7 ttp -99.95 142.15 31.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.294 -0.412 . . . . 75.0 111.178 -175.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.94 127.97 29.64 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.396 -0.82 . . . . 50.0 109.567 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.695 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.0 144.45 29.94 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.052 0.454 . . . . 75.0 111.464 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -128.67 173.61 10.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.271 -0.877 . . . . 50.0 111.612 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -122.73 -14.49 7.7 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.824 -0.626 . . . . 75.0 112.271 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -148.83 126.01 11.43 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 120.862 0.363 . . . . 75.0 110.926 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 -56.06 -21.81 24.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.482 0.919 . . . . 75.0 113.482 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -72.87 -33.52 66.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.149 0.28 . . . . 25.0 111.062 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.35 -61.91 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.594 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.3 ttp -49.66 -26.52 3.76 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.619 0.97 . . . . 50.0 113.619 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -84.68 -27.2 27.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.667 0.247 . . . . 50.0 111.667 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.45 -30.83 42.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.462 0.305 . . . . 75.0 111.746 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.0 mm -75.32 -54.47 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -54.13 -41.75 68.73 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.781 0.832 . . . . 75.0 112.54 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.2 ttp -55.6 -54.26 46.28 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.32 0.387 . . . . 50.0 111.632 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 3' ' ' HIS . 99.0 m -55.12 -58.09 9.06 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.273 0.358 . . . . 25.0 110.049 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.0 mt -43.82 -60.75 1.68 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.869 0.868 . . . . 50.0 110.863 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -52.76 -28.34 21.87 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.846 0.858 . . . . 75.0 113.077 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -86.31 -20.31 28.55 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.049 -0.523 . . . . 75.0 110.973 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 96.6 mt -83.69 -41.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 C-N-CA 123.4 0.68 . . . . 75.0 111.552 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.8 mt -70.24 -33.79 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.143 0.177 . . . . 50.0 110.933 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.84 -17.14 64.0 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.749 0.656 . . . . 75.0 111.587 174.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -79.93 -39.19 30.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.008 -0.542 . . . . 75.0 110.746 173.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 90.3 m-85 -86.78 -2.83 58.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.257 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 28.2 tptp -86.68 -28.37 23.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.43 -0.804 . . . . 50.0 110.066 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -93.1 -17.32 23.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.265 -0.879 . . . . 50.0 111.375 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.04 -13.01 59.22 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.724 -0.655 . . . . 75.0 110.77 -179.77 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.407 -0.277 . . . . 25.0 112.407 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.3 t -107.3 127.06 28.61 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 122.317 0.247 . . . . 50.0 110.857 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -73.05 -16.91 25.31 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.37 2.047 . . . . 75.0 113.829 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 123.54 -94.47 0.5 Allowed Glycine 0 C--N 1.339 0.728 0 O-C-N 123.476 0.485 . . . . 50.0 112.487 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -113.25 91.69 20.06 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 123.618 0.246 . . . . 50.0 110.733 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.29 107.85 2.23 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.608 2.205 . . . . 75.0 112.934 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -142.42 126.37 17.25 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.743 -0.662 . . . . 50.0 110.141 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.05 13.01 10.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.9 -0.591 . . . . 50.0 113.454 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 51.2 mt -121.07 30.03 7.05 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.027 0.441 . . . . 50.0 111.552 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.9 mt -82.14 7.35 13.75 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.004 -0.544 . . . . 75.0 111.275 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 91.5 p -126.81 -41.71 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.357 -0.383 . . . . 50.0 111.279 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.44 15.18 41.74 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.108 -0.496 . . . . 50.0 113.614 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -126.79 1.57 6.71 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.834 0.317 . . . . 50.0 111.008 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.4 8.42 44.64 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.425 0.528 . . . . 75.0 112.425 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -110.37 -17.29 13.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.327 -0.851 . . . . 75.0 111.12 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -93.4 -4.94 50.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.972 0.36 . . . . 50.0 111.972 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.7 p -85.52 -3.59 58.91 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.492 0.317 . . . . 50.0 111.617 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.8 p -89.09 -34.96 16.56 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.05 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.82 -22.74 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.981 -0.554 . . . . 50.0 110.471 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.61 6.49 34.28 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.5 0.667 . . . . 50.0 110.469 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.443 ' OD1' ' HD2' ' A' ' 86' ' ' ARG . 1.1 m-20 -91.34 -29.01 17.36 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.55 -1.204 . . . . 75.0 109.069 172.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.1 mmm -70.21 -21.58 63.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.109 -0.951 . . . . 50.0 111.087 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -29.16 37.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.075 -0.966 . . . . 50.0 113.102 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -18.38 45.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.769 0.655 . . . . 75.0 112.769 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 65.1 p -83.06 -31.36 27.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 111.711 0.263 . . . . 50.0 111.711 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.44 -4.56 56.91 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.391 0.432 . . . . 25.0 110.898 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.0 -32.94 19.77 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.513 -0.767 . . . . 75.0 111.731 -178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 36.6 mt -87.52 -36.95 17.32 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.965 0.412 . . . . 50.0 110.923 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 47.7 t -83.13 91.95 7.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.122 -0.944 . . . . 75.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.53 91.21 2.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.464 -0.789 . . . . 75.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 79.5 mt -102.28 -46.43 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.446 -0.797 . . . . 50.0 111.718 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 43.4 t 55.66 110.09 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.048 0.939 . . . . 50.0 112.575 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.99 -1.005 . . . . 50.0 110.885 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo . . . . . 0 N--CA 1.489 1.23 0 N-CA-C 111.86 -0.092 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -139.73 68.63 1.36 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.67 0.748 . . . . 25.0 110.181 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 58.9 m170 -94.26 -13.08 26.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.089 -0.96 . . . . 75.0 110.923 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 84.6 p -138.53 147.78 43.49 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.002 -0.545 . . . . 75.0 111.939 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' HG21 ' A' ' 15' ' ' ILE . . . -154.29 -112.44 0.46 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.066 -0.97 . . . . 75.0 111.729 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.23 127.96 10.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.641 0.376 . . . . 25.0 110.494 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.95 151.21 37.44 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.821 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 90.9 mt -109.82 141.03 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 115.938 -0.574 . . . . 75.0 109.507 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -148.67 115.42 5.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.258 -0.645 . . . . 75.0 109.258 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 12' ' ' VAL . 93.9 mt-10 61.87 52.34 3.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.562 0.745 . . . . 75.0 111.366 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt 55.56 3.47 0.08 Allowed 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.577 1.551 . . . . 75.0 114.258 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' HZ1' ' A' ' 36' ' ' LYS . 98.1 t -101.72 115.03 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 108.535 -0.913 . . . . 50.0 108.535 170.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.7 t -77.33 138.36 39.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.306 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -161.0 10.09 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.285 -0.87 . . . . 75.0 113.144 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG21 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -123.74 139.67 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 114.97 -0.615 . . . . 75.0 109.513 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 4' ' ' SER . 8.2 tt -100.86 137.07 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.094 -0.503 . . . . 75.0 110.409 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.24 145.81 44.04 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.382 0.426 . . . . 25.0 111.266 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 96.7 mt -103.77 131.94 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.224 0.535 . . . . 75.0 110.265 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.679 ' ND2' ' HG1' ' A' ' 28' ' ' THR . 95.3 m-20 -100.69 106.15 17.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.67 -1.15 . . . . 50.0 111.19 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.73 167.77 12.57 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.027 -0.731 . . . . 75.0 109.027 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 72.17 2.72 4.42 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.89 0.876 . . . . 50.0 110.629 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 23' ' ' SER . 29.3 m -102.98 -172.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.336 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.3 p -73.39 159.76 84.06 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.312 -2.107 . . . . 50.0 105.312 171.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.96 129.82 2.9 Favored 'Trans proline' 0 C--N 1.374 1.882 0 CA-C-N 122.206 1.824 . . . . 50.0 113.692 -139.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' HH ' ' A' ' 111' ' ' TYR . . . -48.68 137.77 11.69 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.139 -1.392 . . . . 25.0 113.243 -167.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 41' ' ' VAL . 9.4 mt-10 -124.47 172.09 9.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.566 -1.652 . . . . 75.0 111.195 -168.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.7 tp -125.76 109.98 13.2 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.787 -1.19 . . . . 75.0 107.787 172.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.679 ' HG1' ' ND2' ' A' ' 19' ' ' ASN . 97.0 m -110.01 110.34 21.23 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.167 -170.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -85.49 134.11 34.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.478 -0.783 . . . . 50.0 109.57 170.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -128.3 156.89 42.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.553 -0.749 . . . . 75.0 109.776 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.4 p -68.02 168.34 12.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.911 -0.403 . . . . 50.0 109.911 178.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -56.74 -27.96 60.24 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.429 0.559 . . . . 25.0 112.359 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -99.95 -28.0 13.3 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.195 -0.457 . . . . 50.0 109.98 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.13 18.05 25.53 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.615 -0.721 . . . . 75.0 113.497 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -69.86 -29.73 67.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.594 0.358 . . . . 75.0 110.763 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HZ1' HG22 ' A' ' 12' ' ' VAL . 99.6 mttt -110.48 138.19 47.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.042 -0.526 . . . . 75.0 109.61 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.63 134.22 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-O 120.816 0.341 . . . . 50.0 111.781 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -127.75 145.99 50.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.586 -0.733 . . . . 50.0 109.381 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -129.32 129.19 44.52 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.03 0.443 . . . . 25.0 112.118 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.8 t -112.27 107.59 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.836 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 26' ' ' GLU . 60.0 t -82.92 122.82 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.28 -23.45 57.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.76 1.022 . . . . 75.0 113.76 -170.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 94.8 p -67.38 -3.58 8.65 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.163 0.506 . . . . 75.0 110.922 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -114.93 4.33 14.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.889 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.531 HG21 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -113.31 141.97 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.297 -0.865 . . . . 75.0 109.587 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.25 -40.09 3.74 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.028 -0.533 . . . . 50.0 111.288 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 95.1 mttt -133.39 169.63 16.65 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -176.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.5 130.46 13.39 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.393 -0.821 . . . . 50.0 108.848 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.423 HE21 HD11 ' B' ' 546' ' ' LEU . 40.9 mt-30 -128.77 119.63 24.9 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.36 0.124 . . . . 75.0 110.865 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.0 149.69 34.98 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.15 0.426 . . . . 50.0 112.15 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -67.65 120.0 70.14 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 116.021 -0.536 . . . . 75.0 111.359 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.12 164.13 5.38 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.732 2.288 . . . . 75.0 113.349 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.33 56.06 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.75 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.692 ' HG ' HE22 ' B' ' 548' ' ' GLN . 95.3 p -97.51 -9.91 26.25 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.606 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.42 138.19 37.53 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.883 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.621 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.2 mp0 -63.02 -15.61 57.03 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.204 -0.907 . . . . 50.0 111.938 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HD2' HD12 ' B' ' 545' ' ' LEU . 12.5 mttp -97.29 153.3 18.13 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.704 -1.134 . . . . 50.0 113.203 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 76.3 mtm -124.32 98.13 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.835 -1.075 . . . . 75.0 109.103 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.503 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.1 mtt -155.98 154.75 31.59 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.64 -0.709 . . . . 75.0 111.485 -175.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 40.8 tp -134.55 119.78 18.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.378 -0.828 . . . . 50.0 109.47 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.762 HH21 ' HB3' ' A' ' 86' ' ' ARG . 48.8 mtp180 -101.26 146.52 27.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 75.0 111.669 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -128.36 111.62 13.54 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 50.0 110.119 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 49.6 mm -85.02 138.55 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 50.0 110.727 -174.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.12 157.25 24.04 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 115.826 -0.625 . . . . 50.0 113.183 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -80.05 117.26 20.72 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.451 0.643 . . . . 75.0 112.697 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -120.78 144.25 30.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 114.471 -1.24 . . . . 50.0 110.363 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -90.78 107.4 19.16 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.08 -0.964 . . . . 50.0 109.339 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -85.98 -1.35 57.25 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.392 0.516 . . . . 75.0 112.392 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.6 p -77.95 -4.33 46.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.638 0.375 . . . . 50.0 111.751 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -92.2 34.36 1.03 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.296 0.638 . . . . 75.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -46.18 127.0 8.31 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.436 1.094 . . . . 75.0 113.294 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -107.71 151.78 25.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.255 -0.884 . . . . 50.0 109.972 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.13 143.67 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.284 0.365 . . . . 75.0 110.413 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -82.5 -169.46 2.46 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.639 -0.71 . . . . 50.0 111.765 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.37 -31.71 64.07 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.485 0.92 . . . . 75.0 113.485 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.77 -21.1 21.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.3 0.481 . . . . 50.0 112.3 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.5 17.57 13.33 Favored Glycine 0 C--N 1.342 0.875 0 C-N-CA 121.402 -0.428 . . . . 50.0 113.435 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -87.83 145.92 25.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.198 -0.297 . . . . 75.0 110.198 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG2' HG23 ' A' ' 81' ' ' VAL . 29.2 tt0 -72.93 114.8 11.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 75.0 111.353 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 100.76 11.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 115.108 -0.951 . . . . 50.0 109.003 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.0 t -93.44 127.85 44.77 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.398 -0.819 . . . . 50.0 111.566 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -64.58 129.25 23.17 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.91 2.407 . . . . 75.0 112.236 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.73 149.53 36.57 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.347 -0.842 . . . . 75.0 112.696 -170.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.24 153.07 71.87 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 123.118 2.545 . . . . 75.0 113.862 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -91.99 152.15 20.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.102 -0.954 . . . . 75.0 111.529 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.762 ' HB3' HH21 ' A' ' 61' ' ' ARG . 0.0 OUTLIER -109.46 153.47 24.0 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 75.0 111.342 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 94.0 m-70 -125.21 110.63 14.3 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.023 -0.732 . . . . 75.0 109.023 173.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 39.2 ttm -108.69 136.87 47.56 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.453 0.644 . . . . 75.0 111.944 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -117.92 165.72 13.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.187 -1.369 . . . . 50.0 108.794 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.821 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 70.1 m -117.94 145.23 44.84 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.917 0.389 . . . . 75.0 110.534 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.1 m-85 -128.71 175.56 8.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.632 -0.713 . . . . 50.0 112.053 -173.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.19 -13.96 7.12 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.649 -0.705 . . . . 50.0 110.958 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -143.28 143.54 31.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.652 0.381 . . . . 75.0 110.843 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -80.97 -18.68 46.14 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.556 0.576 . . . . 75.0 112.556 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -77.93 -19.41 54.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.086 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.49 -62.13 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.75 -40.16 19.8 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 112.951 0.723 . . . . 50.0 112.951 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.55 -25.25 63.01 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.464 0.478 . . . . 50.0 111.756 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.29 -32.94 19.42 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.536 0.522 . . . . 75.0 112.1 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.13 -53.2 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -52.78 -42.61 65.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.949 0.9 . . . . 75.0 111.963 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.2 ttp -52.14 -54.3 32.25 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.273 0.629 . . . . 75.0 111.777 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.9 m -59.96 -57.24 13.72 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.511 HD13 HD23 ' A' ' 27' ' ' LEU . 95.8 mt -43.47 -58.63 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.134 0.974 . . . . 50.0 111.043 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -50.32 -32.74 17.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.069 0.948 . . . . 75.0 113.232 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -82.28 -20.33 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.929 -0.578 . . . . 75.0 111.185 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.466 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.0 mt -83.94 -41.29 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.332 0.653 . . . . 75.0 111.668 177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.444 HG13 ' CD1' ' A' ' 42' ' ' LEU . 58.4 mt -69.86 -35.6 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 120.495 0.188 . . . . 50.0 110.805 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -63.92 -18.31 64.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.773 -0.648 . . . . 75.0 111.756 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -77.3 -40.62 43.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.267 -0.424 . . . . 75.0 110.72 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 72.6 m-85 -86.04 -0.82 56.49 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.055 -0.521 . . . . 50.0 111.308 176.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -91.15 -29.89 17.01 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.463 -0.79 . . . . 50.0 110.31 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -88.59 -34.39 17.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.367 -0.833 . . . . 50.0 111.22 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.64 88.84 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.014 0.925 . . . . 25.0 112.557 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 t0 . . . . . 0 C--O 1.253 1.281 0 CA-C-N 114.983 -1.008 . . . . 75.0 110.812 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.489 -0.244 . . . . 25.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.4 t -112.45 126.37 28.47 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-O 119.543 -0.265 . . . . 50.0 110.77 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.49 135.37 20.02 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.343 2.029 . . . . 75.0 113.408 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 143.75 -123.83 2.13 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.987 -0.551 . . . . 50.0 112.74 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -123.02 86.62 50.99 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.115 -0.328 . . . . 50.0 110.115 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.98 11.81 1.35 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.767 2.312 . . . . 75.0 114.105 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 65.08 165.62 0.16 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.899 0.88 . . . . 50.0 111.882 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -91.74 59.88 2.85 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 116.052 -0.522 . . . . 50.0 112.836 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 86.8 mt -126.71 119.54 27.2 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.853 -0.425 . . . . 75.0 109.853 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 87.7 mt -115.5 -4.67 12.26 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.777 -0.647 . . . . 50.0 109.928 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 33.8 t -165.53 -53.86 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.256 -0.883 . . . . 50.0 110.044 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 68.0 71.24 0.98 Allowed Glycine 0 C--N 1.346 1.113 0 O-C-N 123.22 0.325 . . . . 50.0 113.098 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -134.04 -3.02 2.84 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.021 0.378 . . . . 75.0 112.021 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -106.32 -9.78 16.65 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.087 0.47 . . . . 75.0 111.909 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -116.74 -28.4 6.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.955 -1.02 . . . . 75.0 110.904 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -91.03 -1.29 57.83 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.098 -0.501 . . . . 50.0 112.104 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.9 p -80.89 -4.19 53.96 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.698 0.285 . . . . 50.0 111.519 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -87.31 -35.94 18.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.916 -0.584 . . . . 75.0 110.841 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.8 pt -90.74 -20.31 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.88 -0.6 . . . . 75.0 110.884 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -83.13 10.0 9.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.326 0.584 . . . . 75.0 111.59 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.616 ' OD1' ' HD3' ' A' ' 86' ' ' ARG . 57.9 m-20 -92.91 -29.05 16.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.952 -1.022 . . . . 75.0 109.461 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.6 mmm -75.73 -18.18 59.66 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.841 169.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -74.44 -32.2 62.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.972 -1.013 . . . . 50.0 112.667 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -21.46 45.8 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.318 0.858 . . . . 75.0 113.318 -171.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.6 p -83.34 -16.89 44.37 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.744 0.275 . . . . 50.0 111.744 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.65 25.37 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.921 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 57' ' ' LYS . 85.4 mt -86.53 -35.74 19.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.535 0.568 . . . . 75.0 112.535 -177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . 0.423 HD11 HE21 ' A' ' 49' ' ' GLN . 73.1 mt -80.22 -24.99 39.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.875 0.369 . . . . 75.0 110.803 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 85.1 p -91.86 -57.25 2.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.321 -0.854 . . . . 75.0 110.801 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.692 HE22 ' HG ' ' A' ' 54' ' ' SER . 78.1 mt-30 53.18 100.03 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.948 0.899 . . . . 50.0 112.834 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 60.4 mt -131.99 142.8 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.567 -0.742 . . . . 50.0 111.319 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 63.3 m 68.67 -58.13 0.49 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.579 1.152 . . . . 50.0 112.595 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.908 -1.044 . . . . 50.0 110.996 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 1.535 ' CD ' ' CG ' ' A' ' 1' ' ' PRO . 70.9 Cg_exo . . . . . 0 N--CA 1.486 1.069 0 N-CA-C 111.27 -0.319 . . . . 25.0 111.27 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 4' ' ' SER . 36.0 p -121.69 -36.3 3.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.784 -0.643 . . . . 25.0 111.531 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.613 ' CD2' HG21 ' A' ' 103' ' ' THR . 63.3 m80 69.78 -31.66 0.22 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.406 1.082 . . . . 75.0 112.604 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -131.61 142.07 49.8 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.925 0.393 . . . . 50.0 111.026 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 -113.98 0.66 Allowed Glycine 0 C--N 1.335 0.48 0 CA-C-N 115.247 -0.888 . . . . 75.0 111.959 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.99 125.33 9.44 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.694 0.398 . . . . 25.0 110.303 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.59 151.89 40.73 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.315 0.487 . . . . 25.0 112.315 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.792 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -110.27 138.19 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.662 -0.699 . . . . 75.0 109.305 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -140.87 116.28 10.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.955 -0.566 . . . . 75.0 109.841 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 62.68 42.31 8.39 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.908 0.883 . . . . 75.0 112.06 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm 70.07 -5.96 1.19 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.71 1.204 . . . . 75.0 113.928 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG22 ' HE2' ' A' ' 36' ' ' LYS . 78.6 t -95.21 116.96 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 108.822 -0.807 . . . . 50.0 108.822 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.7 t -79.22 137.86 37.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.023 -0.535 . . . . 50.0 111.439 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.53 -158.75 8.84 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.254 -0.885 . . . . 75.0 113.108 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -125.87 138.49 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.426 -0.583 . . . . 75.0 109.426 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 HD11 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.63 137.71 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.551 -178.118 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.46 139.71 40.78 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.368 0.417 . . . . 25.0 111.304 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 96.7 mt -97.55 132.71 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.031 0.443 . . . . 75.0 110.13 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -101.62 105.1 15.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.052 -0.976 . . . . 50.0 111.248 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.97 167.91 12.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.767 -0.651 . . . . 75.0 109.309 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.13 2.64 4.39 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 123.74 0.816 . . . . 50.0 111.65 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.91 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.306 -1.315 . . . . 50.0 110.031 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -73.5 165.84 49.36 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 106.162 -1.792 . . . . 75.0 106.162 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.39 129.08 3.42 Favored 'Trans proline' 0 C--N 1.376 1.998 0 CA-C-N 122.46 1.914 . . . . 50.0 113.228 -142.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' H ' ' HH ' ' A' ' 111' ' ' TYR . . . -51.46 141.0 16.56 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.3 -1.318 . . . . 25.0 113.008 -165.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.54 172.06 10.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.767 -1.56 . . . . 75.0 111.225 -167.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 62' ' ' LEU . 48.4 tp -127.19 107.73 10.27 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.991 -1.115 . . . . 75.0 107.991 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -107.97 109.6 21.12 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.165 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 86.4 t90 -85.85 133.5 33.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.406 -0.815 . . . . 50.0 109.624 171.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -126.68 157.27 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.565 -0.743 . . . . 75.0 109.73 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.6 p -67.8 169.32 9.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.075 -0.343 . . . . 50.0 110.075 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -57.0 -28.24 62.26 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.99 -28.74 12.92 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.151 -0.477 . . . . 50.0 109.963 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.22 18.25 24.73 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.618 -0.719 . . . . 75.0 113.647 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' A' ' 31' ' ' SER . 12.8 p-10 -70.61 -30.91 67.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.536 0.334 . . . . 75.0 110.615 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.6 mttp -105.22 137.67 42.63 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.228 -0.656 . . . . 75.0 109.228 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.51 134.05 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-O 120.786 0.327 . . . . 50.0 111.76 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -128.75 146.45 50.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.651 -0.704 . . . . 50.0 109.566 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.01 127.29 41.32 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.892 0.377 . . . . 25.0 111.834 -175.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.598 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.6 t -110.97 107.66 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.106 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.8 t -82.05 122.63 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 108.534 -0.913 . . . . 50.0 108.534 174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.31 -23.27 59.04 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.876 1.065 . . . . 75.0 113.876 -171.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.9 p -66.83 -10.87 52.56 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.849 0.357 . . . . 50.0 111.364 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -115.2 13.52 16.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.699 173.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -109.6 142.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.402 -0.817 . . . . 75.0 108.801 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.54 -48.69 2.99 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.284 0.365 . . . . 50.0 111.673 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.669 ' O ' HD21 ' A' ' 48' ' ' LEU . 98.9 mttt -131.67 170.11 15.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 122.565 0.346 . . . . 75.0 110.794 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.669 HD21 ' O ' ' A' ' 47' ' ' LYS . 61.7 mt -146.72 132.6 19.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.035 -0.728 . . . . 50.0 109.035 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -129.57 114.37 15.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.83 0.308 . . . . 75.0 111.83 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.2 156.0 26.15 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.513 0.56 . . . . 75.0 112.513 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.835 HG23 ' HA ' ' A' ' 58' ' ' MET . 10.4 t -71.22 123.78 89.91 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 123.242 0.617 . . . . 75.0 111.693 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -59.22 164.63 10.24 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.728 2.285 . . . . 75.0 113.066 174.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.98 58.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.998 -0.546 . . . . 25.0 112.032 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -94.52 -17.41 22.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.862 -0.608 . . . . 50.0 111.092 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -72.15 140.27 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.614 -0.721 . . . . 50.0 112.64 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.16 -16.99 64.11 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.012 -0.995 . . . . 50.0 111.87 176.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -95.46 156.56 16.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 50.0 112.904 -172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.835 ' HA ' HG23 ' A' ' 51' ' ' THR . 71.7 mtm -128.33 98.18 4.98 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.059 -0.973 . . . . 75.0 109.046 169.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.576 ' H ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -156.54 155.21 31.54 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.794 -0.639 . . . . 75.0 111.524 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.76 118.43 14.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.268 -0.878 . . . . 50.0 109.047 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.689 ' HD2' ' HB3' ' A' ' 86' ' ' ARG . 53.3 ttp180 -104.21 142.46 34.48 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.291 0.567 . . . . 75.0 111.798 -176.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.641 ' CD1' HD22 ' A' ' 27' ' ' LEU . 13.7 mt -121.12 105.73 10.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.806 -1.088 . . . . 50.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.518 HG12 ' HG2' ' A' ' 86' ' ' ARG . 81.6 mt -86.15 135.97 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.317 -0.856 . . . . 50.0 109.891 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.52 165.59 26.16 Favored Glycine 0 C--N 1.336 0.535 0 CA-C-N 115.728 -0.669 . . . . 50.0 113.746 -173.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -87.07 132.22 33.89 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.92 0.488 . . . . 75.0 110.915 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.53 132.08 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.001 -0.545 . . . . 50.0 111.408 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.33 91.89 3.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.178 -1.045 . . . . 75.0 108.178 169.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -85.38 -1.55 57.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.602 0.593 . . . . 75.0 112.602 -174.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -75.46 -7.23 53.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.811 0.339 . . . . 50.0 111.705 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.57 36.1 1.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 75.0 110.713 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -45.39 122.24 3.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.086 0.955 . . . . 75.0 112.854 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -103.1 154.11 19.62 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.853 -1.067 . . . . 75.0 109.905 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.74 146.73 50.11 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.272 0.357 . . . . 75.0 110.11 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -88.22 -168.56 2.25 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.782 -0.645 . . . . 50.0 111.784 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.2 -31.72 65.74 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.355 0.872 . . . . 75.0 113.355 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -91.28 -22.13 20.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.14 0.422 . . . . 50.0 112.14 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.61 25.0 7.11 Favored Glycine 0 C--N 1.34 0.767 0 C-N-CA 121.525 -0.369 . . . . 50.0 113.3 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -93.35 145.65 24.31 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 110.026 -0.361 . . . . 75.0 110.026 176.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.6 tt0 -72.49 112.25 8.38 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.051 0.453 . . . . 75.0 111.356 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.48 101.15 12.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.107 -0.952 . . . . 50.0 109.306 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -91.59 127.93 48.5 Favored Pre-proline 0 CA--C 1.551 1.01 0 CA-C-N 115.379 -0.828 . . . . 50.0 111.524 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.69 133.69 46.64 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.089 2.526 . . . . 75.0 113.504 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.6 mttt -94.87 164.1 20.42 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 114.607 -1.179 . . . . 75.0 111.507 -177.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.1 Cg_endo -63.84 149.56 90.41 Favored 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.717 2.278 . . . . 75.0 114.085 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -93.82 131.21 39.42 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.753 -1.112 . . . . 75.0 110.724 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.689 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 50.5 mtt180 -119.71 124.62 46.68 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.826 -0.624 . . . . 75.0 110.389 -176.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 20.9 m-70 -106.67 112.83 25.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.14 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.5 mtt -99.9 141.13 33.12 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.965 0.412 . . . . 75.0 111.275 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.581 ' HE2' ' HB2' ' A' ' 29' ' ' TRP . 67.5 m-85 -132.83 127.23 34.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.4 -0.818 . . . . 50.0 109.702 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.792 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 75.8 m -83.5 145.01 29.16 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.858 0.361 . . . . 75.0 111.244 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -128.66 175.9 8.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.583 -0.735 . . . . 50.0 111.856 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -123.33 -14.2 7.48 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.814 -0.63 . . . . 75.0 111.619 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -143.54 143.63 31.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.789 0.436 . . . . 75.0 110.944 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.9 mmt180 -79.39 -18.35 52.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.875 -0.602 . . . . 75.0 112.592 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.79 -21.54 54.99 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.227 0.329 . . . . 25.0 111.153 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.99 -62.5 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.305 -0.628 . . . . 50.0 109.305 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 94' ' ' ARG . 25.2 ptp -47.01 -39.93 13.56 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -71.46 -24.85 62.08 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.562 0.539 . . . . 50.0 111.753 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.17 -33.87 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.793 0.437 . . . . 75.0 112.028 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mm -68.33 -54.43 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.784 -0.821 . . . . 50.0 108.784 172.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -53.55 -41.35 66.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.129 0.972 . . . . 75.0 112.289 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.4 ttm -54.41 -51.77 63.85 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.49 0.494 . . . . 75.0 111.52 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.613 HG21 ' CD2' ' A' ' 3' ' ' HIS . 98.9 m -60.48 -58.57 7.93 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.552 ' HB3' HD11 ' A' ' 48' ' ' LEU . 75.3 mt -43.77 -59.33 2.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.065 0.946 . . . . 50.0 110.969 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -49.21 -32.88 11.3 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.595 0.961 . . . . 75.0 113.595 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.97 -20.33 33.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.117 -0.492 . . . . 75.0 111.038 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.84 -43.32 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.263 0.625 . . . . 75.0 111.604 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.2 mt -70.34 -36.45 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.108 0.163 . . . . 50.0 110.964 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.575 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.9 p -63.44 -17.49 62.74 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.684 0.615 . . . . 75.0 112.132 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -78.62 -43.66 25.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.335 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HH ' ' H ' ' A' ' 25' ' ' ALA . 70.4 m-85 -80.42 -1.03 39.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.334 -0.848 . . . . 50.0 111.383 175.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 6.2 mmtp -91.21 -33.61 15.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.505 -0.77 . . . . 50.0 110.289 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.46 -32.76 20.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.538 -0.755 . . . . 50.0 111.36 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.18 87.4 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.91 0.884 . . . . 25.0 112.473 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 117.981 -1.009 . . . . 75.0 110.939 179.346 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 CA-C-O 120.157 -0.246 . . . . 25.0 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 46.8 t 53.78 111.08 0.02 OUTLIER Pre-proline 0 N--CA 1.486 1.342 0 C-N-CA 124.59 1.156 . . . . 50.0 112.765 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.74 139.52 25.11 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.27 1.98 . . . . 75.0 113.343 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 142.55 147.1 4.73 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.866 -0.606 . . . . 50.0 112.723 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.26 102.13 30.96 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 122.377 0.271 . . . . 50.0 110.906 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.84 -23.09 41.88 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.618 2.212 . . . . 75.0 113.524 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -98.16 137.8 36.39 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.322 0.389 . . . . 50.0 111.572 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -156.54 114.58 0.62 Allowed Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.74 -0.663 . . . . 50.0 112.474 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.0 mt -114.68 21.8 14.13 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.671 0.272 . . . . 50.0 111.365 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.36 -1.23 5.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.312 -0.404 . . . . 50.0 111.546 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 41.5 t -154.49 94.87 1.74 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.688 -0.687 . . . . 50.0 109.71 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 166.7 -32.26 0.21 Allowed Glycine 0 C--N 1.336 0.561 0 CA-C-N 115.827 -0.624 . . . . 75.0 113.164 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -123.77 6.17 8.77 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.711 0.291 . . . . 75.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -117.4 8.91 13.17 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.035 -0.529 . . . . 75.0 112.162 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -113.72 8.87 17.62 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.465 -0.788 . . . . 75.0 111.701 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -78.51 -8.53 58.66 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.615 0.598 . . . . 75.0 112.615 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.9 p -80.6 -3.63 51.1 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 111.921 0.341 . . . . 75.0 111.921 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -86.89 -36.36 18.45 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.208 -0.451 . . . . 50.0 110.71 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 24.6 pt -91.09 -20.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.466 0.479 . . . . 50.0 110.998 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.07 10.47 14.2 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.34 0.591 . . . . 75.0 111.183 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.57 -32.73 12.69 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.981 -1.008 . . . . 75.0 109.756 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.0 mmm -71.82 -15.71 62.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.862 -0.608 . . . . 50.0 110.762 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -77.72 -36.65 50.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.945 -1.025 . . . . 50.0 112.723 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -84.17 -28.48 27.35 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 112.8 0.667 . . . . 75.0 112.8 -173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.6 p -70.08 -27.55 64.7 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.379 0.511 . . . . 50.0 112.379 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.12 -14.53 31.03 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.282 0.364 . . . . 25.0 111.531 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.74 -24.23 23.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.127 -0.488 . . . . 75.0 112.183 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt -96.18 -28.25 14.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.894 0.378 . . . . 50.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 81.0 p -89.11 -42.58 11.61 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.173 -0.921 . . . . 50.0 110.878 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 48.34 95.26 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.429 1.092 . . . . 75.0 112.623 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 93.9 mt -115.93 121.43 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.675 -0.693 . . . . 50.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 31.1 t -119.52 133.97 55.44 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 50.0 110.585 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 117.976 -1.011 . . . . 50.0 111.888 -179.409 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo . . . . . 0 N--CA 1.488 1.174 0 N-CA-C 111.422 -0.261 . . . . 25.0 111.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -138.8 130.19 27.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.708 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.665 ' HD2' ' HG1' ' A' ' 103' ' ' THR . 66.2 m170 -86.66 -4.57 59.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.523 -0.762 . . . . 75.0 111.397 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.3 p -146.24 157.11 43.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.727 -172.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -164.05 -119.34 0.48 Allowed Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.334 -0.848 . . . . 75.0 111.958 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.72 127.18 15.96 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.583 0.353 . . . . 25.0 110.634 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -142.88 153.63 43.33 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt -111.85 139.2 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 115.884 -0.598 . . . . 75.0 109.402 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -144.72 122.4 11.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.855 -0.611 . . . . 75.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 62.9 38.63 11.18 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.73 0.812 . . . . 75.0 112.122 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 68.72 -5.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.588 1.155 . . . . 75.0 113.444 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' HD2' ' A' ' 36' ' ' LYS . 72.2 t -93.63 118.75 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 173.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.6 t -79.87 136.88 36.78 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.184 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.71 -157.2 7.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.166 -0.925 . . . . 75.0 113.277 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' GLY . 84.2 mt -126.84 137.15 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.913 -0.643 . . . . 75.0 109.64 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.583 HD12 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.75 133.93 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.245 -0.434 . . . . 75.0 110.512 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 139.08 41.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.905 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.33 130.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 122.118 0.961 . . . . 50.0 111.302 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.88 105.93 17.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 112.923 -1.944 . . . . 50.0 112.089 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -126.47 168.23 14.52 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.412 -0.813 . . . . 75.0 109.564 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 73.57 0.97 3.81 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.164 0.986 . . . . 50.0 110.743 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.35 -171.44 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 114.717 -1.128 . . . . 50.0 110.136 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -72.8 162.65 73.31 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 106.134 -1.802 . . . . 75.0 106.134 172.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.27 128.77 3.22 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 121.933 1.726 . . . . 50.0 113.194 -139.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.42 135.14 18.15 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.093 -1.412 . . . . 25.0 113.029 -166.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG2' HG23 ' A' ' 41' ' ' VAL . 5.2 mt-10 -121.44 171.66 8.62 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.411 -1.722 . . . . 75.0 110.97 -169.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 16' ' ' ILE . 38.3 tp -126.3 111.16 14.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.142 -1.058 . . . . 75.0 108.142 174.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -108.12 111.15 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.323 -171.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -85.4 140.04 31.07 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.51 -0.768 . . . . 50.0 109.43 169.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.5 mtm180 -133.68 159.61 40.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.951 -1.022 . . . . 50.0 109.27 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 89.6 p -77.9 165.09 24.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.16 -0.448 . . . . 50.0 109.794 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.8 m -54.92 -31.85 60.59 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -97.07 -29.57 13.55 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.212 -0.449 . . . . 50.0 109.912 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.3 17.92 18.5 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 115.493 -0.776 . . . . 75.0 113.636 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.7 p-10 -69.47 -24.97 63.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.69 0.396 . . . . 50.0 111.497 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD2' HG13 ' A' ' 12' ' ' VAL . 16.7 mttp -116.51 138.79 51.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.944 -0.571 . . . . 75.0 109.802 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.464 HG22 ' C ' ' A' ' 36' ' ' LYS . 60.7 t -147.21 125.92 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 CA-C-N 116.453 -0.339 . . . . 50.0 111.081 -174.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -120.31 147.36 45.11 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 50.0 109.719 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.55 130.47 45.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.986 0.422 . . . . 25.0 112.042 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.5 t -114.44 107.54 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.329 -0.851 . . . . 50.0 110.035 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG23 ' HG2' ' A' ' 26' ' ' GLU . 60.1 t -81.22 121.56 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.667 -0.864 . . . . 50.0 108.667 176.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD12 HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -75.78 -23.12 55.89 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.792 1.034 . . . . 75.0 113.792 -171.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -67.71 -1.47 5.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.135 0.493 . . . . 75.0 111.005 174.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -115.01 0.1 13.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.144 -0.935 . . . . 25.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -108.42 141.46 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.763 0.825 . . . . 75.0 109.841 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -107.83 -51.1 2.95 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.1 -0.5 . . . . 50.0 111.485 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.87 170.24 15.15 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.801 0.44 . . . . 75.0 110.519 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.96 133.99 20.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.56 ' HG2' ' HD2' ' B' ' 542' ' ' PHE . 7.3 tt0 -131.19 121.41 24.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.484 0.183 . . . . 75.0 111.184 -177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.57 153.33 30.29 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.013 0.375 . . . . 50.0 112.013 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -67.95 121.71 80.9 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.956 -0.566 . . . . 75.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.33 162.62 5.68 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.8 2.334 . . . . 75.0 113.247 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.57 -8.99 58.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.804 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -93.52 -17.11 23.76 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.69 -0.686 . . . . 75.0 110.863 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -74.06 136.84 43.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.622 -0.717 . . . . 50.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -60.09 -25.0 65.08 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.746 -1.116 . . . . 75.0 111.937 175.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' B' ' 541' ' ' ASP . 92.0 mttt -85.47 152.77 22.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.248 -1.342 . . . . 50.0 113.268 -172.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.599 ' HE3' ' HD3' ' A' ' 94' ' ' ARG . 97.6 mmm -124.64 97.93 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.909 -1.041 . . . . 75.0 108.97 169.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.519 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 89.3 mtp -155.84 153.97 30.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.63 -0.714 . . . . 50.0 111.484 -175.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 6.6 tp -133.72 119.78 19.75 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.285 -0.87 . . . . 50.0 109.284 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HD2' ' HB3' ' A' ' 86' ' ' ARG . 47.0 ttp180 -100.63 145.83 27.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.169 0.509 . . . . 75.0 111.715 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.4 mm? -125.97 102.5 7.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.939 -1.028 . . . . 50.0 109.847 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.507 HG12 ' HG2' ' A' ' 86' ' ' ARG . 34.9 mt -85.3 133.19 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.247 -0.888 . . . . 50.0 109.781 -175.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.0 168.8 29.01 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.732 -0.667 . . . . 50.0 113.998 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -84.98 134.89 34.22 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.004 -0.598 . . . . 75.0 110.857 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.9 t -93.32 133.41 34.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.014 -0.539 . . . . 50.0 111.421 -172.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -105.11 86.41 2.43 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.005 -0.998 . . . . 75.0 109.267 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -86.56 -2.07 58.17 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.815 -0.63 . . . . 75.0 112.217 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.17 -14.65 60.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.857 0.361 . . . . 50.0 111.672 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -96.7 40.49 1.13 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.566 -0.743 . . . . 75.0 110.776 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -44.64 118.34 1.55 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 114.995 -1.002 . . . . 75.0 112.469 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -102.9 152.11 21.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.717 -1.129 . . . . 75.0 110.262 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -126.37 144.12 50.93 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.313 -0.403 . . . . 75.0 110.129 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -84.71 -169.03 2.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.77 -0.65 . . . . 50.0 111.911 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.81 -31.55 64.81 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.457 0.91 . . . . 75.0 113.457 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.98 -23.94 21.39 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.063 0.394 . . . . 50.0 112.063 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 18.42 10.36 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.517 -0.373 . . . . 50.0 113.335 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -89.04 148.47 23.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.478 0.311 . . . . 75.0 110.234 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -72.25 116.03 12.2 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.472 . . . . 75.0 111.624 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.65 100.74 10.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.041 -0.981 . . . . 50.0 109.05 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.24 128.28 47.88 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 115.547 -0.751 . . . . 50.0 111.31 -172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.88 132.74 46.62 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 123.062 2.508 . . . . 75.0 113.209 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.1 mttt -94.55 165.28 17.68 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 114.594 -1.184 . . . . 75.0 111.455 -175.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -65.4 148.0 87.72 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.551 2.168 . . . . 75.0 113.71 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.59 HE21 ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -93.58 128.42 39.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.857 -1.065 . . . . 75.0 110.743 178.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HG2' HG12 ' A' ' 63' ' ' ILE . 94.3 mtt180 -116.46 114.84 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.498 -0.774 . . . . 75.0 110.567 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 98.0 m-70 -96.99 112.38 24.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.955 -0.566 . . . . 75.0 110.476 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.5 mtp -105.89 135.94 46.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.371 0.605 . . . . 75.0 111.321 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -115.73 165.63 12.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.497 -1.229 . . . . 50.0 108.977 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 145.45 45.13 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.722 0.296 . . . . 75.0 110.459 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.2 m-85 -129.11 175.7 8.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.793 -0.639 . . . . 50.0 112.126 -172.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -123.27 -15.75 7.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.668 -0.696 . . . . 50.0 111.046 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.77 143.68 32.3 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.788 0.435 . . . . 75.0 110.91 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.599 ' HD3' ' HE3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -80.22 -18.24 50.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.601 0.593 . . . . 75.0 112.601 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.54 -19.21 58.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.276 0.36 . . . . 25.0 111.132 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.03 -62.88 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.5 ptp -47.04 -39.3 12.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 112.944 0.72 . . . . 50.0 112.944 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.46 -26.36 63.6 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.443 0.464 . . . . 50.0 111.744 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.08 -31.05 20.68 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 75.0 112.123 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.81 -53.59 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.782 -0.822 . . . . 50.0 108.782 172.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -51.64 -44.28 62.91 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.073 0.949 . . . . 75.0 111.906 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.7 ttm -53.47 -52.42 59.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.234 0.614 . . . . 75.0 111.534 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.665 ' HG1' ' HD2' ' A' ' 3' ' ' HIS . 99.0 m -59.26 -59.58 5.24 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.35 0.406 . . . . 25.0 110.085 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.588 HD23 HD12 ' A' ' 42' ' ' LEU . 80.5 mt -43.86 -57.54 3.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.357 1.063 . . . . 50.0 111.218 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -50.98 -32.98 22.78 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.329 1.052 . . . . 75.0 113.362 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -81.2 -19.98 42.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.125 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.539 ' HB ' HD11 ' A' ' 42' ' ' LEU . 97.9 mt -81.91 -42.72 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 123.366 0.666 . . . . 75.0 111.703 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -72.24 -35.96 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 122.099 0.159 . . . . 50.0 111.138 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.552 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 85.6 p -62.71 -17.06 60.08 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.608 0.567 . . . . 75.0 111.875 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.75 -42.31 24.83 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.0 -0.545 . . . . 50.0 110.596 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -81.73 0.16 40.25 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.705 -0.68 . . . . 50.0 111.43 175.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.552 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.2 mmtp -94.17 -29.55 15.07 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.447 -0.797 . . . . 75.0 110.278 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -90.49 -32.36 16.4 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.455 -0.793 . . . . 50.0 111.208 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.53 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.978 0.911 . . . . 25.0 112.549 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.978 -1.01 . . . . 50.0 110.351 179.082 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.465 -0.254 . . . . 25.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.1 t -103.59 130.98 22.5 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 122.327 0.251 . . . . 50.0 110.871 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.57 -12.26 26.82 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.573 2.182 . . . . 75.0 114.123 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -108.98 76.75 0.22 Allowed Glycine 0 C--N 1.34 0.777 0 O-C-N 123.374 0.421 . . . . 50.0 112.589 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 57.07 92.25 0.06 OUTLIER Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 123.925 0.89 . . . . 75.0 112.138 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.33 -31.28 35.41 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.703 2.268 . . . . 75.0 113.438 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -103.9 143.46 32.82 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.334 0.397 . . . . 50.0 111.179 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -103.87 168.0 16.7 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.834 -0.621 . . . . 50.0 112.772 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 94.7 mt -105.48 -46.86 4.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.171 0.51 . . . . 75.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.07 -11.58 35.42 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.674 -1.148 . . . . 50.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 29.6 t -137.82 80.47 1.8 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.002 -0.999 . . . . 50.0 109.687 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -152.11 -79.77 0.03 OUTLIER Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.551 -0.75 . . . . 75.0 112.874 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -115.45 -3.81 12.37 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.868 0.366 . . . . 50.0 111.425 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -102.66 11.21 38.04 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.512 -0.767 . . . . 75.0 112.213 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -92.83 -37.31 12.37 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.378 -0.828 . . . . 75.0 111.351 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.67 -3.67 27.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.275 0.472 . . . . 75.0 112.275 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.0 p -88.47 -13.98 39.0 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.617 -0.265 . . . . 50.0 111.278 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 96.8 p -74.14 -34.22 63.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.923 0.489 . . . . 75.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 50.6 pt -84.38 -14.75 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.832 -0.622 . . . . 50.0 110.334 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -89.22 8.57 29.58 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.948 -0.569 . . . . 50.0 111.413 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -93.12 -30.99 14.97 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.253 -0.885 . . . . 75.0 110.497 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.0 mmm -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.888 -0.597 . . . . 50.0 111.37 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.468 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 99.5 m-20 -79.8 -28.39 40.23 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.265 -0.879 . . . . 75.0 112.36 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.56 ' HD2' ' HG2' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -84.64 -29.03 26.05 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.794 0.665 . . . . 75.0 112.794 -173.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.9 p -76.77 -29.07 55.92 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.277 0.473 . . . . 50.0 112.277 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.83 -7.15 53.12 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 123.216 0.323 . . . . 25.0 111.106 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 13.1 tp -87.51 -27.55 22.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.766 -0.652 . . . . 50.0 112.052 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 25.4 tp -87.03 -31.21 20.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.016 0.436 . . . . 50.0 110.824 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -85.62 -46.03 11.16 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.088 -0.96 . . . . 75.0 111.423 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 53.41 101.77 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.235 1.014 . . . . 75.0 112.312 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.2 mt -95.59 114.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.553 -0.749 . . . . 50.0 111.554 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 39.4 t -122.49 132.98 54.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.522 -0.763 . . . . 50.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.486 1.34 0 C-N-CA 124.315 1.046 . . . . 50.0 112.669 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.489 1.228 0 N-CA-C 111.409 -0.266 . . . . 25.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.3 p -122.62 -39.18 2.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.401 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.581 ' CD2' HG22 ' A' ' 103' ' ' THR . 70.9 m80 69.65 -31.24 0.21 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.496 1.118 . . . . 75.0 113.059 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -133.45 143.35 48.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.882 0.373 . . . . 75.0 111.31 -178.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -115.36 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.284 -0.871 . . . . 75.0 112.016 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.71 127.53 13.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.629 0.372 . . . . 25.0 110.621 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.54 152.74 41.82 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.756 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -111.54 139.25 36.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.688 -0.687 . . . . 75.0 109.217 176.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -142.18 115.93 9.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.085 -0.507 . . . . 75.0 109.692 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 60.94 46.24 8.7 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.929 0.871 . . . . 75.0 111.728 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 68.22 -5.42 0.9 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.435 -1.257 . . . . 75.0 113.638 173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -95.47 119.7 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.982 -0.748 . . . . 50.0 108.982 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.422 ' HA ' HG12 ' A' ' 8' ' ' ILE . 12.4 t -80.81 136.56 36.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.034 -0.53 . . . . 50.0 111.433 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.51 -159.76 9.08 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.086 -0.961 . . . . 75.0 113.106 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.66 137.76 56.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.441 -0.577 . . . . 75.0 109.441 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.1 tt -100.68 137.45 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.143 -0.481 . . . . 75.0 110.543 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.38 141.88 41.74 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.464 0.477 . . . . 25.0 111.271 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 96.7 mt -101.11 132.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.111 0.482 . . . . 75.0 110.319 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.64 107.94 19.34 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.94 -1.027 . . . . 50.0 111.043 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.16 167.69 12.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.419 -0.585 . . . . 75.0 109.419 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.15 4.35 4.8 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.659 0.784 . . . . 50.0 111.832 -172.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -101.81 -172.34 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 114.305 -1.316 . . . . 50.0 110.211 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.53 158.51 86.33 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 105.358 -2.09 . . . . 50.0 105.358 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -40.39 130.15 2.44 Favored 'Trans proline' 0 C--N 1.374 1.889 0 CA-C-N 122.064 1.773 . . . . 50.0 113.981 -139.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.56 137.71 8.72 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.96 -1.473 . . . . 25.0 113.36 -168.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG2' HG21 ' A' ' 41' ' ' VAL . 15.8 mt-10 -123.35 172.08 8.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 113.508 -1.678 . . . . 75.0 111.14 -168.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 35.6 tp -128.7 106.12 8.73 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.935 -1.135 . . . . 75.0 107.935 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -106.57 112.09 24.93 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.26 -171.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -87.52 131.69 34.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.487 -0.778 . . . . 50.0 109.524 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -126.6 156.72 40.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.484 -0.78 . . . . 75.0 109.645 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 90.6 p -66.77 169.29 8.17 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 119.378 -0.344 . . . . 50.0 110.232 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -29.69 59.59 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.8 -31.04 11.72 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.164 -0.471 . . . . 50.0 109.923 170.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.92 18.28 12.72 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.703 -0.681 . . . . 75.0 113.834 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.9 p-10 -70.09 -31.28 68.78 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.531 0.333 . . . . 75.0 110.838 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 62.4 mttp -104.65 137.54 42.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.256 -0.646 . . . . 75.0 109.256 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.32 135.27 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 N-CA-C 111.977 0.362 . . . . 50.0 111.977 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -130.24 146.33 51.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.462 -0.79 . . . . 50.0 109.392 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.04 127.97 42.66 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.784 0.326 . . . . 25.0 111.811 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.2 t -112.13 107.4 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.484 -0.78 . . . . 50.0 110.124 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -81.89 121.13 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.485 -0.931 . . . . 50.0 108.485 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD11 HD21 ' A' ' 104' ' ' LEU . 3.4 mm? -75.37 -20.59 58.89 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.733 1.012 . . . . 75.0 113.733 -171.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.2 -3.5 13.9 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.225 0.536 . . . . 50.0 110.561 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -115.53 2.32 13.8 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.878 -1.056 . . . . 25.0 110.376 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -109.42 142.43 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.645 0.778 . . . . 75.0 109.699 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -110.19 -46.25 3.47 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.022 -0.536 . . . . 50.0 111.699 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.572 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.1 mttt -133.21 174.34 10.49 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.958 0.409 . . . . 75.0 111.866 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.53 129.74 12.77 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -125.78 116.51 21.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.479 0.18 . . . . 75.0 110.79 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.19 150.77 29.04 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.953 0.353 . . . . 75.0 111.953 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -69.76 121.58 83.05 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 123.024 0.53 . . . . 75.0 111.279 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.51 162.63 6.01 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.821 2.348 . . . . 75.0 113.294 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.637 ' HB3' ' HD2' ' A' ' 94' ' ' ARG . . . -72.03 -9.67 58.71 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.925 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p -95.6 -18.06 20.87 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.763 -0.653 . . . . 50.0 111.196 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.57 139.29 49.36 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.862 -0.608 . . . . 50.0 112.305 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -63.16 -15.74 57.82 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.073 -0.967 . . . . 50.0 112.015 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' B' ' 541' ' ' ASP . 73.6 mttt -98.15 153.64 18.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.677 -1.147 . . . . 75.0 113.161 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.9 mtt -125.92 98.64 5.6 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.726 -1.124 . . . . 75.0 109.13 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 61.1 mtt -156.03 157.03 35.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.496 -0.775 . . . . 75.0 111.365 -174.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 91' ' ' PHE . 13.8 tp -136.68 118.39 15.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.339 -0.846 . . . . 50.0 108.986 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HD2' ' CD1' ' B' ' 542' ' ' PHE . 64.9 mtp85 -101.32 145.2 29.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.116 0.484 . . . . 75.0 111.789 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.3 mm? -128.07 106.26 8.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.994 -1.003 . . . . 50.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 47' ' ' LYS . 82.2 mt -86.77 138.08 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 109.741 -0.466 . . . . 50.0 109.741 -175.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 165.2 32.82 Favored Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.035 -0.529 . . . . 50.0 113.52 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -85.61 113.98 22.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.598 0.713 . . . . 75.0 112.536 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.31 151.7 26.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 114.281 -1.327 . . . . 50.0 110.886 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -89.04 102.13 14.78 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.164 -0.926 . . . . 75.0 109.895 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.84 -1.54 57.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.695 -0.684 . . . . 75.0 112.277 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -83.66 -15.82 47.44 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.118 0.414 . . . . 50.0 112.118 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -84.11 35.01 0.52 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.506 0.722 . . . . 75.0 111.248 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -45.76 125.52 6.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.043 0.937 . . . . 75.0 113.272 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -98.49 150.31 21.8 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.092 -0.958 . . . . 75.0 109.518 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.72 143.2 51.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.0 110.104 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -85.05 -168.95 2.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.652 -0.703 . . . . 50.0 111.754 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.86 -31.76 65.13 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.558 0.948 . . . . 75.0 113.558 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.95 -19.62 22.24 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.141 0.423 . . . . 50.0 112.141 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.24 18.89 12.35 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.427 -0.416 . . . . 50.0 113.384 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.56 145.92 26.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.189 -0.3 . . . . 75.0 110.189 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG2' HG21 ' A' ' 81' ' ' VAL . 47.4 tt0 -74.6 113.8 12.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.186 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.51 101.03 11.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.268 -0.878 . . . . 50.0 109.213 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 79' ' ' GLU . 84.7 t -94.14 127.66 43.95 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.323 -0.853 . . . . 50.0 111.848 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -63.55 131.53 32.01 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.914 2.41 . . . . 75.0 112.347 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.64 151.31 39.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.572 -0.74 . . . . 75.0 112.67 -170.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.83 162.64 34.72 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.008 2.472 . . . . 75.0 113.799 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -91.0 132.38 36.02 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.08 -0.964 . . . . 75.0 110.765 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HG2' HG12 ' A' ' 63' ' ' ILE . 85.8 mtt85 -116.48 130.8 56.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.31 -0.859 . . . . 75.0 110.641 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.3 m-70 -106.88 112.77 25.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.688 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 66.2 ttp -102.08 140.31 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.087 -0.506 . . . . 75.0 110.933 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 59' ' ' MET . 90.9 m-85 -131.68 130.4 41.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.562 -0.744 . . . . 50.0 109.802 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.756 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 40.0 m -84.18 143.74 29.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.102 0.477 . . . . 75.0 111.301 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 23.7 m-85 -127.4 175.58 8.1 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.241 -0.89 . . . . 50.0 111.547 -173.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -123.82 -17.64 6.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.987 -0.551 . . . . 50.0 111.163 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.39 128.63 16.75 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.678 0.275 . . . . 75.0 110.839 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.637 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 7.1 ptm180 -61.4 -18.32 58.25 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.243 0.831 . . . . 75.0 113.243 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -74.9 -27.07 60.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.623 0.369 . . . . 25.0 111.452 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -82.22 -63.06 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.631 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 14.3 ptp -47.23 -29.49 2.42 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.328 1.051 . . . . 50.0 113.542 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -78.84 -35.2 44.38 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.097 0.248 . . . . 50.0 111.111 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.29 -32.14 58.6 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.568 0.543 . . . . 75.0 112.216 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.91 -54.0 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -51.52 -43.09 62.18 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.887 0.875 . . . . 75.0 112.051 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.49 -50.74 69.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.177 0.591 . . . . 75.0 111.544 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.581 HG22 ' CD2' ' A' ' 3' ' ' HIS . 99.0 m -62.16 -57.67 10.64 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.277 0.361 . . . . 25.0 110.119 176.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 HD21 HD11 ' A' ' 42' ' ' LEU . 75.9 mt -43.49 -59.39 2.17 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.947 0.899 . . . . 50.0 110.797 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.1 -30.68 11.57 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.23 1.012 . . . . 75.0 113.508 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.11 -20.67 28.34 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.2 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.29 -42.27 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.288 0.635 . . . . 75.0 111.657 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -69.16 -35.9 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 117.802 0.274 . . . . 50.0 110.769 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.5 p -63.93 -16.84 62.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.759 0.662 . . . . 50.0 111.533 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.61 -40.64 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.638 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -86.64 -3.23 59.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.321 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -86.95 -28.55 22.64 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.449 -0.796 . . . . 50.0 109.934 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -94.36 -19.89 20.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.154 -0.93 . . . . 50.0 111.385 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.37 -7.2 59.08 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.016 -0.992 . . . . 50.0 110.407 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.458 -0.257 . . . . 25.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.2 t -103.23 129.97 24.51 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 50.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.12 135.37 22.8 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.225 1.95 . . . . 75.0 113.339 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 140.6 66.37 0.03 OUTLIER Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.872 -0.603 . . . . 50.0 112.69 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 57.0 93.93 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.226 0 C-N-CA 123.931 0.893 . . . . 75.0 112.176 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -66.72 143.6 68.35 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.662 2.241 . . . . 75.0 112.99 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.54 139.31 50.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.89 -0.596 . . . . 50.0 111.288 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -144.95 54.09 0.56 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.87 -0.605 . . . . 50.0 112.746 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 89.4 mt -120.11 -44.74 2.49 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.412 0.625 . . . . 75.0 110.366 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 66.7 mt -103.27 -17.41 15.33 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.364 -1.289 . . . . 50.0 109.968 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 41.5 p -116.65 37.67 3.7 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.123 -0.944 . . . . 50.0 110.839 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.79 -18.65 15.09 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.693 -0.685 . . . . 75.0 113.342 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.18 -3.19 9.03 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.931 0.396 . . . . 50.0 110.422 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -99.36 7.87 45.16 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.573 -0.739 . . . . 75.0 112.171 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -93.24 -20.57 20.3 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.199 -0.91 . . . . 75.0 111.164 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.71 -6.26 43.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.514 -0.312 . . . . 50.0 111.773 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 85.5 p -87.54 -8.2 56.63 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.349 -0.387 . . . . 50.0 111.547 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 94.8 p -80.43 -34.62 35.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.24 -0.436 . . . . 75.0 111.0 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.2 pt -84.56 -15.05 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.75 -0.659 . . . . 50.0 110.383 173.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.96 9.05 20.65 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.241 0.543 . . . . 50.0 111.472 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -91.03 -32.76 15.78 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.06 -0.973 . . . . 75.0 109.582 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.2 mmm -71.25 -22.39 61.98 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.811 -0.631 . . . . 50.0 111.218 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 98.3 m-20 -82.88 -33.81 26.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.366 -0.834 . . . . 75.0 112.055 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.598 ' CD1' ' HD2' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -84.99 -28.18 25.95 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.401 0.519 . . . . 75.0 112.401 -175.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -76.26 -17.6 59.39 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.134 0.42 . . . . 50.0 112.134 -176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.12 -13.63 32.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.792 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.54 -37.88 17.74 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.376 0.51 . . . . 50.0 112.376 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.43 -35.95 68.46 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.11 0.481 . . . . 75.0 110.416 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.9 p -111.27 69.8 0.7 Allowed 'General case' 0 C--O 1.238 0.472 0 CA-C-N 114.878 -1.056 . . . . 75.0 109.132 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -94.42 69.32 3.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.131 -0.94 . . . . 75.0 110.527 -174.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 77.9 mt -106.09 118.08 53.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.327 -0.851 . . . . 50.0 109.844 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 75.0 m -118.9 137.99 53.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.724 -0.671 . . . . 50.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.091 -0.956 . . . . 50.0 110.661 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 N--CA 1.488 1.167 0 N-CA-C 111.797 -0.117 . . . . 25.0 111.797 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -141.51 68.45 1.33 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.65 0.738 . . . . 25.0 109.999 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -91.89 -13.35 31.42 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.104 -0.953 . . . . 75.0 111.292 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p -138.77 153.03 48.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.829 -0.623 . . . . 50.0 111.117 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -113.44 0.35 Allowed Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.415 -0.811 . . . . 75.0 111.956 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.1 128.35 12.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.614 0.366 . . . . 25.0 110.468 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.75 153.11 41.34 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -112.19 140.58 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.745 -0.661 . . . . 75.0 109.355 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -143.43 120.85 11.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.034 -0.53 . . . . 75.0 109.717 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 61.68 40.52 13.13 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.785 0.834 . . . . 75.0 112.086 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm 69.24 -3.98 1.41 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.59 1.156 . . . . 50.0 113.645 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.9 t -96.99 119.51 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.411 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -81.63 140.92 34.12 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.585 . . . . 75.0 111.518 -175.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -157.2 -156.19 7.8 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.116 -0.947 . . . . 75.0 112.96 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.8 mt -126.55 139.34 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.037 -0.582 . . . . 75.0 109.66 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.66 136.84 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.116 -0.493 . . . . 75.0 110.392 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.596 0.56 . . . . 25.0 111.006 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.14 140.98 17.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.99 0.9 . . . . 50.0 110.6 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.2 t-20 -109.66 100.09 9.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.166 -1.833 . . . . 50.0 110.76 -173.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.41 167.54 12.68 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.466 -0.568 . . . . 75.0 109.466 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 72.45 2.26 4.27 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.984 0.913 . . . . 50.0 110.589 -172.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.64 -173.25 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.666 -1.152 . . . . 50.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.63 160.32 81.29 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 105.134 -2.173 . . . . 50.0 105.134 170.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.04 130.05 4.39 Favored 'Trans proline' 0 C--N 1.376 2.008 0 CA-C-N 122.305 1.859 . . . . 50.0 113.549 -140.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -47.19 131.98 12.7 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 114.09 -1.414 . . . . 25.0 112.967 -167.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 26.3 pt-20 -128.35 140.58 51.78 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.025 -0.989 . . . . 75.0 113.172 -173.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.604 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 45.7 tp -96.82 104.95 17.0 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.814 -1.18 . . . . 75.0 107.814 -176.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.8 m -104.18 109.45 21.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.22 -1.355 . . . . 25.0 111.294 -169.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 87.9 t90 -84.95 135.77 33.9 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.695 -0.684 . . . . 50.0 109.432 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 mtp180 -128.27 151.08 49.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 75.0 109.807 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.67 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 95.7 p -69.32 159.17 33.62 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.94 -0.573 . . . . 50.0 109.461 173.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.66 -20.56 5.49 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -101.14 -31.31 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.383 0.427 . . . . 75.0 110.783 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 17.27 31.34 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.57 -0.741 . . . . 75.0 113.077 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -76.07 -28.89 57.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.121 -0.326 . . . . 75.0 110.121 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.67 ' H ' ' HG ' ' A' ' 31' ' ' SER . 59.6 mttp -105.3 139.09 40.46 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.698 -0.683 . . . . 75.0 109.458 173.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.08 131.29 5.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-O 120.902 0.382 . . . . 50.0 111.816 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.613 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.1 m-70 -123.62 145.44 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.49 -0.777 . . . . 50.0 109.42 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 128.52 43.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.604 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 95.0 t -114.08 107.54 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.732 -0.667 . . . . 50.0 110.562 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 44' ' ' THR . 90.3 t -79.52 117.98 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 174.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 HD21 ' A' ' 104' ' ' LEU . 2.3 mm? -75.86 -17.56 59.76 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.291 0.849 . . . . 75.0 113.291 -171.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 111' ' ' TYR . 59.5 p -69.37 -3.99 16.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.152 0.501 . . . . 50.0 110.438 174.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 70.3 p -115.6 -1.56 12.71 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.728 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.13 147.83 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.574 0.75 . . . . 75.0 109.962 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.95 -47.37 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.1 -0.5 . . . . 50.0 111.46 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.59 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 60.0 mttp -131.22 168.05 18.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.161 0.43 . . . . 75.0 112.161 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.57 129.22 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.625 -0.716 . . . . 50.0 109.245 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.805 ' HG3' HH21 ' A' ' 61' ' ' ARG . 91.5 mm-40 -127.29 114.85 18.15 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.65 0.241 . . . . 75.0 111.65 -175.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.05 150.49 31.94 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.275 0.472 . . . . 50.0 112.275 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 p -67.73 120.3 72.53 Favored Pre-proline 0 N--CA 1.477 0.906 0 CA-C-N 115.726 -0.67 . . . . 75.0 111.183 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.67 159.84 6.2 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.868 2.379 . . . . 75.0 113.141 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 1.006 ' HB3' ' HD2' ' A' ' 94' ' ' ARG . . . -72.59 -4.71 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.032 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.417 ' HG ' HE22 ' B' ' 548' ' ' GLN . 87.0 p -100.24 -17.87 17.13 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.608 -0.724 . . . . 75.0 111.04 173.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -69.58 140.29 53.77 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.253 0.621 . . . . 50.0 112.66 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -64.38 -14.77 58.34 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.173 -0.922 . . . . 50.0 112.154 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.9 150.03 20.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.673 -1.149 . . . . 75.0 112.902 -171.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.5 mmm -122.01 98.31 5.88 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.155 -0.929 . . . . 75.0 109.101 168.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 64.5 mtp -157.21 156.39 32.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.708 -0.678 . . . . 75.0 111.337 -175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.06 118.39 14.63 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.351 -0.841 . . . . 50.0 108.982 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.805 HH21 ' HG3' ' A' ' 49' ' ' GLN . 58.8 ttp180 -101.53 142.98 32.08 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.031 0.443 . . . . 75.0 111.609 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -124.0 108.63 12.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.158 -0.928 . . . . 50.0 110.094 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 61.7 mt -89.1 133.43 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.728 -0.669 . . . . 50.0 109.804 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.76 164.96 30.5 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.89 -0.595 . . . . 50.0 113.641 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.82 133.53 35.63 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.971 0.508 . . . . 75.0 111.312 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.6 134.26 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.735 -0.666 . . . . 50.0 111.163 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -105.03 88.07 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.224 -0.898 . . . . 75.0 108.788 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -86.75 -2.03 58.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.035 -0.53 . . . . 75.0 112.253 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.5 p -76.9 -10.8 59.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.835 0.35 . . . . 50.0 111.604 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -94.5 37.67 1.12 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.583 -0.735 . . . . 75.0 110.688 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.04 121.15 2.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.096 0.959 . . . . 75.0 112.744 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -100.88 151.74 21.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.635 -1.166 . . . . 75.0 109.897 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.87 142.62 51.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.299 0.374 . . . . 75.0 110.301 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -84.35 -169.42 2.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.677 -0.692 . . . . 50.0 111.931 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.27 -31.5 63.67 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.44 0.904 . . . . 75.0 113.44 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.46 -20.81 23.44 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.003 0.372 . . . . 50.0 112.003 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.05 19.35 12.87 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.61 -0.328 . . . . 50.0 113.055 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -90.77 147.21 23.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 122.608 0.363 . . . . 75.0 110.173 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' HG22 ' A' ' 81' ' ' VAL . 38.0 tt0 -72.11 114.55 10.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.105 0.479 . . . . 75.0 111.636 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.29 101.21 11.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.176 -0.92 . . . . 50.0 109.253 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 79' ' ' GLU . 86.1 t -91.63 129.08 43.9 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 115.469 -0.787 . . . . 50.0 111.592 -172.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -59.59 134.3 57.09 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.163 2.575 . . . . 75.0 113.357 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.98 161.45 28.29 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-N 115.124 -0.944 . . . . 75.0 111.727 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.66 150.06 83.77 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.655 2.237 . . . . 75.0 114.088 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.43 150.25 20.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.708 -1.133 . . . . 75.0 110.557 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HD3' ' HD2' ' A' ' 61' ' ' ARG . 38.8 mtt85 -131.67 134.2 45.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.623 -0.262 . . . . 75.0 110.359 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.53 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m-70 -112.06 113.04 25.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.412 -0.358 . . . . 75.0 110.555 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.89 139.1 37.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.898 0.38 . . . . 75.0 111.376 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -130.65 129.6 42.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.372 -0.831 . . . . 50.0 109.757 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.703 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -84.41 144.7 28.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.96 0.41 . . . . 75.0 111.234 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -128.13 176.23 7.81 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.413 -0.812 . . . . 50.0 111.741 -173.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -122.31 -17.65 7.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.963 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -141.49 143.5 33.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.955 0.407 . . . . 75.0 111.13 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 1.006 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 2.4 ttt180 -75.21 -28.07 59.83 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.439 -0.801 . . . . 75.0 112.092 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -71.05 -22.03 62.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.391 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.0 t -80.58 -62.68 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.269 -0.641 . . . . 50.0 109.269 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptp -46.11 -40.91 11.63 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.781 0.66 . . . . 50.0 112.781 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -69.53 -31.28 69.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.53 0.519 . . . . 50.0 111.779 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.43 -33.18 28.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.249 0.463 . . . . 75.0 112.249 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mm -69.3 -52.63 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.805 -0.813 . . . . 50.0 108.805 172.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -53.96 -43.11 69.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.787 0.835 . . . . 75.0 111.827 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 ttp -53.34 -51.87 61.04 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.15 0.58 . . . . 75.0 111.497 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.3 m -59.88 -59.87 4.74 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.395 0.434 . . . . 25.0 109.959 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 27' ' ' LEU . 98.8 mt -43.1 -59.47 2.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.311 1.045 . . . . 50.0 111.066 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -49.26 -33.92 13.99 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.115 0.966 . . . . 75.0 113.421 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -81.6 -19.86 41.0 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.07 -0.514 . . . . 75.0 111.182 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 95.8 mt -85.12 -42.53 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.638 0.775 . . . . 75.0 112.068 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.24 -50.37 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 111.884 0.328 . . . . 50.0 111.884 -173.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.5 p -65.46 -16.11 63.32 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.587 0.588 . . . . 50.0 112.587 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.57 -43.22 94.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 120.994 0.426 . . . . 50.0 110.808 169.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 51.4 m-85 -76.95 -11.17 59.77 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.046 -0.979 . . . . 50.0 112.271 174.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -84.04 -25.26 30.01 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.037 -0.529 . . . . 75.0 111.17 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -95.72 -19.01 20.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.729 -0.669 . . . . 50.0 111.232 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.51 -5.54 59.3 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.713 -0.66 . . . . 50.0 110.465 -178.653 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.529 -0.228 . . . . 25.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 41.5 t -119.44 108.73 39.34 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 123.621 0.248 . . . . 50.0 110.948 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.35 142.33 85.18 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.649 2.233 . . . . 50.0 113.06 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -159.41 129.77 2.3 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.882 -0.599 . . . . 50.0 112.55 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -97.51 113.04 62.83 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-O 119.605 -0.236 . . . . 50.0 111.092 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.94 140.86 75.02 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.489 2.126 . . . . 75.0 113.306 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -120.35 133.86 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.775 -0.648 . . . . 50.0 110.775 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -142.83 73.47 0.36 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.964 -0.562 . . . . 50.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 86.6 mt -121.96 -46.15 2.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.245 0.545 . . . . 75.0 110.389 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.19 -14.92 20.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.487 -1.233 . . . . 50.0 110.269 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 74.1 m -130.0 62.68 1.55 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.144 -0.934 . . . . 50.0 110.159 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -121.66 -68.1 0.26 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.304 -0.862 . . . . 75.0 112.849 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -128.5 4.36 5.62 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 122.351 0.261 . . . . 75.0 111.491 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.69 9.65 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.124 0.487 . . . . 75.0 112.26 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . 0.451 ' CG ' ' HG ' ' B' ' 536' ' ' SER . 21.2 t70 -101.19 9.24 42.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.346 -0.843 . . . . 75.0 111.858 -175.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -73.77 -15.01 61.21 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.881 0.697 . . . . 75.0 112.881 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.6 p -92.51 -3.81 54.56 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.42 -0.354 . . . . 50.0 111.387 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' SER . . . . . 0.451 ' HG ' ' CG ' ' B' ' 533' ' ' ASP . 17.8 p -88.45 -32.93 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.99 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 45.9 pt -88.96 -24.06 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.186 -0.461 . . . . 50.0 110.31 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.56 9.17 22.0 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.404 0.621 . . . . 50.0 110.901 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.25 -29.81 14.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.863 -1.062 . . . . 75.0 109.467 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -73.72 -17.41 61.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.98 170.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -78.91 -29.78 44.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.208 -0.905 . . . . 50.0 112.644 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.03 -22.04 31.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.085 0.772 . . . . 75.0 113.085 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.02 -19.75 43.24 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.18 -14.26 31.39 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.171 0.295 . . . . 25.0 111.73 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 94.0 mt -86.63 -35.74 19.22 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.11 -30.57 63.74 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.78 0.324 . . . . 50.0 111.175 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 54.4 p -93.08 -59.05 2.14 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.374 -0.83 . . . . 75.0 111.583 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.417 HE22 ' HG ' ' A' ' 54' ' ' SER . 88.2 mt-30 54.33 101.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.828 0.851 . . . . 50.0 112.538 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.28 -61.32 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.597 -0.729 . . . . 50.0 109.935 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 75.4 m 58.24 114.82 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.059 0.944 . . . . 50.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 117.988 -1.006 . . . . 50.0 110.737 179.726 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 N--CA 1.484 0.917 0 N-CA-C 111.097 -0.386 . . . . 25.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' H ' ' HB3' ' A' ' 99' ' ' ASN . 3.0 t -142.94 132.23 23.35 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.956 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.497 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 62.5 m170 -85.05 -7.24 59.2 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.436 -0.802 . . . . 75.0 110.908 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.7 p -145.78 145.49 30.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.845 -0.616 . . . . 50.0 111.051 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.66 -117.47 0.66 Allowed Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.12 -0.946 . . . . 75.0 112.07 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.35 125.95 11.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.722 0.409 . . . . 25.0 110.246 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.83 154.6 44.33 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -176.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.72 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 83.8 mt -112.51 137.87 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.63 -0.714 . . . . 75.0 109.329 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -143.71 122.69 12.8 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.708 -0.678 . . . . 75.0 109.512 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 62.49 39.01 12.2 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.735 0.814 . . . . 75.0 112.023 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 69.49 -6.18 1.03 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.636 1.174 . . . . 75.0 113.291 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.74 121.81 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 t -81.71 141.28 33.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.545 -175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.37 -157.09 8.28 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.358 -0.837 . . . . 75.0 113.311 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.76 140.02 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -0.61 . . . . 75.0 109.635 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.48 HD11 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.51 138.36 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.225 -0.443 . . . . 75.0 110.671 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.21 43.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.359 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 87.2 mt -104.37 134.07 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.114 0.483 . . . . 75.0 109.898 176.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -104.94 106.29 16.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.001 -0.999 . . . . 50.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -121.07 167.95 12.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.817 -0.629 . . . . 75.0 109.426 174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 71.07 3.09 4.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.822 0.849 . . . . 50.0 111.754 -171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.6 -172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.332 -1.303 . . . . 50.0 109.808 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -73.19 163.92 64.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.027 -1.842 . . . . 75.0 106.027 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.45 129.5 3.52 Favored 'Trans proline' 0 C--N 1.373 1.865 0 CA-C-N 122.098 1.785 . . . . 50.0 113.426 -142.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.86 141.09 13.92 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.219 -1.355 . . . . 25.0 113.188 -165.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -125.27 172.42 9.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.81 -1.541 . . . . 75.0 111.386 -166.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.61 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -129.08 108.22 10.21 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.254 -1.017 . . . . 75.0 108.254 173.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -107.21 111.66 24.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.252 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -86.6 137.96 32.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.665 -0.698 . . . . 50.0 109.671 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 73.5 mtp180 -128.09 154.97 45.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.244 -0.889 . . . . 75.0 109.899 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.653 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 88.0 p -72.49 159.78 33.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.85 -20.79 6.37 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.705 1.002 . . . . 25.0 113.705 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -101.28 -31.59 10.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.351 0.407 . . . . 50.0 110.286 171.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 17.69 28.84 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 115.45 -0.796 . . . . 75.0 113.319 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.44 -30.18 61.79 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 122.79 0.436 . . . . 50.0 110.622 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.653 ' H ' ' HG ' ' A' ' 31' ' ' SER . 16.4 mttp -103.76 137.69 41.43 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.562 -0.744 . . . . 75.0 109.292 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.17 135.92 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 120.864 0.364 . . . . 50.0 111.807 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.53 145.47 51.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.602 -0.727 . . . . 50.0 109.488 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.36 128.89 43.99 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.001 0.429 . . . . 25.0 111.994 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.61 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.7 t -112.17 108.26 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 115.247 -0.888 . . . . 50.0 110.06 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.4 t -81.69 123.1 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.432 -0.951 . . . . 50.0 108.432 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.24 -21.86 58.3 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.985 1.106 . . . . 75.0 113.985 -171.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.99 -9.68 47.5 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.877 0.37 . . . . 50.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -115.23 14.09 16.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.592 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.4 mm -111.29 142.23 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.17 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -109.49 -52.93 2.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.657 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -131.57 174.5 10.04 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 122.577 0.351 . . . . 75.0 110.864 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.22 132.95 14.93 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.022 -0.733 . . . . 50.0 109.022 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.772 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 94.6 mt-30 -129.7 114.58 16.16 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.949 0.352 . . . . 75.0 111.949 -176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.04 154.25 30.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.837 0.681 . . . . 75.0 112.837 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.23 122.86 88.54 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.71 166.36 8.37 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.884 2.389 . . . . 75.0 113.216 173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.79 -10.2 59.29 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.205 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.4 -8.63 29.02 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.205 -0.452 . . . . 50.0 110.814 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -77.97 142.03 38.58 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 121.464 0.65 . . . . 50.0 112.733 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -60.52 -23.66 64.74 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.434 -1.257 . . . . 50.0 112.285 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.6 154.51 17.18 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.338 -1.301 . . . . 75.0 113.178 -169.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.9 mtm -126.04 97.58 5.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.035 -0.984 . . . . 75.0 108.789 168.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.475 ' SD ' ' HD1' ' B' ' 542' ' ' PHE . 0.2 OUTLIER -156.24 157.46 35.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 115.761 -0.654 . . . . 75.0 111.614 -173.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.0 tp -138.19 118.54 13.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.188 -0.915 . . . . 50.0 108.891 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.705 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 60.0 ttm-85 -99.96 144.75 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.059 0.457 . . . . 75.0 110.683 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -123.82 102.32 7.74 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.186 -0.915 . . . . 50.0 109.705 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' A' ' 86' ' ' ARG . 97.4 mt -85.14 131.33 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 115.126 -0.943 . . . . 50.0 109.543 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.01 163.7 26.96 Favored Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.617 -0.72 . . . . 50.0 114.12 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -81.4 120.44 24.98 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.16 -0.52 . . . . 75.0 111.14 176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 135.21 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.222 -0.899 . . . . 75.0 111.182 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -95.74 78.77 3.3 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.444 -0.798 . . . . 50.0 109.056 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -66.36 -1.18 3.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.341 0.867 . . . . 75.0 113.341 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.9 p -79.02 0.53 27.36 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.559 0.344 . . . . 50.0 111.657 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.43 29.9 1.21 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.135 0.574 . . . . 75.0 111.173 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -46.73 119.05 2.27 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.065 0.946 . . . . 75.0 112.869 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -103.48 155.26 18.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.141 -0.936 . . . . 50.0 110.093 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.07 144.33 51.05 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.748 0.309 . . . . 75.0 110.203 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.74 -168.91 2.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 50.0 111.815 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.89 -31.53 64.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.375 0.88 . . . . 75.0 113.375 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.01 -20.19 24.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.032 0.382 . . . . 50.0 112.032 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.74 19.52 17.4 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 123.284 0.365 . . . . 50.0 113.022 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -90.26 146.53 24.16 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.725 0.41 . . . . 75.0 110.083 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.5 tt0 -72.4 115.13 11.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.045 0.45 . . . . 75.0 111.656 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.05 101.09 11.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.118 -0.946 . . . . 50.0 109.31 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 79' ' ' GLU . 83.4 t -93.45 129.33 39.1 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.497 -0.774 . . . . 50.0 111.743 -172.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -67.63 143.29 61.69 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.888 2.392 . . . . 75.0 112.669 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.58 160.42 31.56 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 115.554 -0.748 . . . . 75.0 111.948 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.01 152.82 80.36 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.756 2.304 . . . . 75.0 112.801 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -92.67 126.23 37.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.731 -0.668 . . . . 75.0 111.599 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.705 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 46.0 mtt180 -114.6 139.14 49.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.122 -0.944 . . . . 75.0 110.36 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.54 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 92.9 m-70 -123.0 116.99 24.46 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.185 0.303 . . . . 75.0 111.197 -176.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.6 mtp -96.66 149.7 21.51 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.786 0.326 . . . . 75.0 111.086 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' MET . 93.1 m-85 -140.44 126.35 19.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.768 -0.651 . . . . 50.0 109.455 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.72 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.61 144.26 29.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.908 0.385 . . . . 75.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -128.36 176.06 8.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.544 -0.753 . . . . 50.0 111.931 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.0 -15.46 7.33 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.68 -0.691 . . . . 50.0 110.91 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -143.41 143.92 31.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.854 0.462 . . . . 75.0 110.938 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -80.48 -21.19 42.25 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.835 0.68 . . . . 75.0 112.835 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 p -76.62 -22.77 53.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.149 0.18 . . . . 25.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.94 -62.82 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -47.86 -38.83 17.03 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.118 0.567 . . . . 50.0 112.271 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.73 -20.77 61.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.596 0.591 . . . . 75.0 112.596 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' HB3' ' H ' ' A' ' 2' ' ' SER . 83.2 m-20 -86.76 -30.91 21.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.533 0.333 . . . . 75.0 111.627 173.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.5 mm -76.08 -55.5 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 173.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -51.54 -43.87 62.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.255 1.022 . . . . 75.0 112.578 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 ttp -54.77 -56.1 22.97 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.342 0.401 . . . . 50.0 111.475 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -55.47 -58.18 8.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.33 0.394 . . . . 25.0 110.054 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.502 HD23 HD11 ' A' ' 27' ' ' LEU . 96.0 mt -43.82 -60.62 1.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.71 0.804 . . . . 50.0 110.668 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -52.02 -29.23 20.05 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.968 0.907 . . . . 75.0 113.326 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.32 -20.12 28.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.882 0.473 . . . . 75.0 111.028 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.45 -42.55 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.42 0.688 . . . . 75.0 111.558 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.39 -35.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.142 0.177 . . . . 50.0 111.12 -177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.23 -17.4 58.22 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.634 0.584 . . . . 50.0 111.666 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -80.18 -42.53 23.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.551 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -81.68 0.14 40.11 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.613 -0.721 . . . . 50.0 111.34 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -92.44 -32.08 15.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.487 -0.779 . . . . 50.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -87.14 -33.28 19.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.325 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.02 87.66 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.944 0.897 . . . . 25.0 112.519 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.905 -1.043 . . . . 75.0 110.782 179.446 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.526 -0.229 . . . . 25.0 112.526 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 38.8 t -113.04 103.62 55.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 122.327 0.251 . . . . 50.0 110.999 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 154.71 65.53 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.807 2.338 . . . . 50.0 113.316 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.9 42.94 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.961 -0.563 . . . . 50.0 112.79 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . 0.406 ' HH ' ' ND2' ' B' ' 525' ' ' ASN . 67.2 t80 58.07 80.78 0.27 Allowed Pre-proline 0 N--CA 1.484 1.266 0 C-N-CA 124.051 0.941 . . . . 75.0 112.035 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.64 -38.72 2.28 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.731 2.287 . . . . 75.0 113.081 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . 0.406 ' ND2' ' HH ' ' B' ' 523' ' ' TYR . 56.1 t30 42.7 86.54 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.685 1.194 . . . . 50.0 113.275 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 92.9 106.07 1.69 Allowed Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.435 -0.802 . . . . 50.0 112.942 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.36 106.06 10.36 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.991 0.424 . . . . 75.0 110.408 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.3 mt -107.65 -8.24 16.19 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.694 -0.854 . . . . 50.0 108.694 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' SER . . . . . 0.924 ' HG ' ' HB2' ' B' ' 532' ' ' GLU . 99.0 p -162.22 -42.97 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.523 -1.217 . . . . 50.0 109.639 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.64 -24.62 30.78 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.683 -0.69 . . . . 75.0 113.703 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -125.4 -11.35 6.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 75.0 111.151 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . 0.924 ' HB2' ' HG ' ' B' ' 529' ' ' SER . 54.8 mt-10 -116.18 8.91 14.5 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.457 -0.792 . . . . 75.0 111.838 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -92.15 -33.77 14.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 75.0 111.53 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -96.84 -2.87 43.14 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.585 0.587 . . . . 75.0 112.585 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 97.8 p -89.79 -7.87 53.43 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.097 0.248 . . . . 50.0 111.385 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p -86.87 -30.19 21.62 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.174 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.0 pt -90.95 -24.15 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.135 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.24 6.0 35.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.368 0.604 . . . . 50.0 110.999 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.443 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 26.3 t70 -94.02 -28.88 15.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.881 -1.054 . . . . 75.0 109.251 171.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.87 -21.68 62.38 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.21 -0.905 . . . . 50.0 110.789 171.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -74.76 -34.45 62.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.127 -0.942 . . . . 50.0 112.415 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.772 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 5.2 t80 -84.65 -26.78 27.57 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.53 0.567 . . . . 75.0 112.53 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -71.81 -29.43 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.6 0.593 . . . . 50.0 112.6 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -89.76 -11.99 40.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.327 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 37.9 mt -87.37 -32.07 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.614 -0.721 . . . . 50.0 112.016 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.53 -22.98 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.821 0.343 . . . . 50.0 111.133 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 80.5 p -95.04 39.65 1.11 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.417 -0.811 . . . . 75.0 111.253 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -92.14 2.28 56.69 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.941 -0.572 . . . . 75.0 111.659 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.6 mt -110.89 123.32 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.836 -0.431 . . . . 75.0 109.836 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.3 m -114.69 135.48 54.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.639 -0.71 . . . . 50.0 110.994 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.955 -1.021 . . . . 50.0 111.037 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo . . . . . 0 N--CA 1.485 1.007 0 N-CA-C 111.493 -0.233 . . . . 25.0 111.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.554 ' HB3' ' OG1' ' A' ' 103' ' ' THR . 48.7 m 60.16 165.12 0.07 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.135 . . . . 25.0 113.869 173.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 74.07 -53.06 0.69 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.265 1.426 . . . . 75.0 112.984 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 42.8 t -130.51 142.82 50.48 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.656 0.613 . . . . 75.0 112.656 -176.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.48 -112.09 0.32 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.721 -1.127 . . . . 75.0 111.69 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.79 128.02 9.82 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.805 0.442 . . . . 25.0 110.339 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -145.91 154.79 42.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.741 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 98.3 mt -111.7 140.81 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.556 -0.747 . . . . 75.0 109.299 175.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CD2' ' CD2' ' A' ' 38' ' ' HIS . 80.1 t80 -143.43 121.59 12.2 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.672 -0.492 . . . . 75.0 109.672 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 61.74 40.55 12.91 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.784 0.833 . . . . 75.0 111.971 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 69.84 -5.15 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.547 1.139 . . . . 50.0 113.488 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.6 t -97.1 122.79 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.457 ' HA ' HG12 ' A' ' 8' ' ' ILE . 43.3 t -83.08 141.48 31.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.049 -0.523 . . . . 75.0 111.571 -174.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.11 -155.89 7.75 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.186 -0.915 . . . . 75.0 113.01 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.04 140.88 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.085 -0.558 . . . . 75.0 109.526 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.89 137.01 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.574 -178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.45 146.03 43.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.226 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -106.49 130.9 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.103 0.478 . . . . 75.0 110.658 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.49 108.08 20.68 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.9 -1.045 . . . . 50.0 111.122 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.3 mt-10 -121.83 168.39 11.91 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.319 -0.623 . . . . 75.0 109.319 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 70.0 m-20 71.09 3.85 4.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.706 0.802 . . . . 50.0 111.69 -172.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -101.46 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 114.28 -1.327 . . . . 50.0 110.117 176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.1 p -74.04 160.91 80.61 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 105.271 -2.122 . . . . 50.0 105.271 171.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.78 130.17 2.76 Favored 'Trans proline' 0 C--N 1.373 1.841 0 CA-C-N 122.288 1.853 . . . . 50.0 113.884 -139.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.38 140.52 10.14 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.935 -1.484 . . . . 25.0 113.293 -167.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.02 171.08 10.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 113.734 -1.575 . . . . 75.0 111.199 -168.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 50.7 tp -127.73 109.09 11.31 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.038 -1.097 . . . . 75.0 108.038 174.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -108.58 111.95 24.05 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.264 -171.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -86.55 136.54 33.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.571 -0.741 . . . . 50.0 109.533 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 54.9 mtp180 -128.22 151.2 49.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 75.0 109.711 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.8 p -69.96 158.9 34.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.877 -0.602 . . . . 50.0 109.394 172.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -53.87 -20.12 5.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -101.15 -31.3 11.11 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.379 0.425 . . . . 50.0 110.386 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 17.23 33.11 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.677 -0.692 . . . . 75.0 112.97 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -76.2 -28.48 57.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.593 0.357 . . . . 75.0 110.098 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.696 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.0 mttp -106.11 137.57 43.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.65 -0.704 . . . . 75.0 109.405 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.02 134.32 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 120.82 0.343 . . . . 50.0 111.725 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 9' ' ' PHE . 95.2 m-70 -129.17 146.2 51.15 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.653 -0.703 . . . . 50.0 109.663 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -129.22 129.82 45.5 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.982 0.42 . . . . 25.0 112.007 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.613 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.1 t -113.77 107.62 23.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.254 -0.884 . . . . 50.0 109.958 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.5 122.14 36.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 108.489 -0.93 . . . . 50.0 108.489 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 104' ' ' LEU . 2.2 mm? -76.82 -20.12 56.74 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.951 1.093 . . . . 75.0 113.951 -171.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -69.78 -3.55 16.05 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.198 0.523 . . . . 50.0 110.477 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -115.28 5.43 14.69 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.203 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.3 mm -112.76 137.91 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.527 -0.76 . . . . 75.0 109.698 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.88 -43.2 4.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 50.0 111.399 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.59 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 64.1 mttp -133.37 169.14 17.37 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.96 133.43 15.53 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -134.89 125.11 26.1 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.635 0.198 . . . . 75.0 110.787 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.5 144.1 45.39 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.6 p -62.63 125.32 85.91 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 123.677 0.791 . . . . 75.0 111.674 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.17 166.23 9.4 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.774 2.316 . . . . 75.0 113.344 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -71.8 -13.68 61.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.381 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -97.42 -8.37 29.57 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.502 0.502 . . . . 50.0 111.057 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.403 ' HG ' HD22 ' B' ' 545' ' ' LEU . 29.7 t -77.7 137.47 38.52 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 112.716 0.635 . . . . 50.0 112.716 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.4 mp0 -58.92 -22.13 59.14 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.829 -1.078 . . . . 50.0 111.665 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -92.65 141.01 28.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.422 -1.263 . . . . 75.0 112.044 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -117.36 96.78 5.57 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.812 -0.81 . . . . 75.0 108.812 167.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 61.5 mtm -154.48 153.95 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 75.0 112.332 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.91 120.16 23.2 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.981 -1.009 . . . . 50.0 109.356 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' B' ' 542' ' ' PHE . 67.4 mtp180 -100.79 145.51 28.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.1 0.476 . . . . 75.0 111.902 -176.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -127.88 109.73 11.89 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.975 -1.012 . . . . 50.0 110.171 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -88.76 132.88 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.721 -0.672 . . . . 50.0 110.087 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.89 162.19 33.89 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 116.075 -0.511 . . . . 50.0 113.823 -175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -85.83 116.73 24.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.401 0.619 . . . . 75.0 112.241 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -121.06 144.77 28.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 114.563 -1.198 . . . . 50.0 110.621 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -92.67 106.94 18.83 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.974 -1.012 . . . . 50.0 109.188 174.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.34 -1.11 56.64 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.212 0.449 . . . . 75.0 112.212 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -76.47 -6.06 50.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.54 0.336 . . . . 50.0 111.627 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -91.98 33.54 1.05 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.541 0.686 . . . . 50.0 110.8 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -46.02 128.35 9.15 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.84 1.256 . . . . 75.0 113.118 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 mtp-105 -110.27 145.13 37.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.685 -0.688 . . . . 75.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.64 138.56 53.92 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.514 -0.55 . . . . 75.0 109.514 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -78.99 -171.32 2.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.376 0.51 . . . . 50.0 112.376 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.18 -32.05 63.98 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.728 1.011 . . . . 75.0 113.728 -174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.87 -12.81 37.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.91 20.58 25.76 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 116.235 -0.439 . . . . 50.0 112.912 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.42 148.05 24.4 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.521 0.328 . . . . 75.0 110.309 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG2' HG22 ' A' ' 81' ' ' VAL . 44.6 tt0 -71.64 120.51 17.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.938 -0.574 . . . . 50.0 111.329 -175.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.64 99.6 5.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.348 -0.842 . . . . 50.0 108.783 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 79' ' ' GLU . 59.4 t -100.01 126.04 37.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 115.381 -0.827 . . . . 50.0 111.385 -171.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.1 124.63 12.42 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.986 2.457 . . . . 75.0 112.683 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -96.12 156.03 37.53 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 115.076 -0.966 . . . . 75.0 112.43 -174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.66 152.55 74.4 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.037 2.491 . . . . 75.0 114.084 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -92.1 142.42 27.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.774 -1.103 . . . . 75.0 110.697 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -114.02 127.38 55.92 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.916 -0.584 . . . . 75.0 110.621 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 -96.96 112.08 24.0 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.235 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.9 mtm -102.64 139.75 37.81 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.342 0.592 . . . . 75.0 111.402 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.7 m-85 -119.65 164.35 16.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.48 -1.236 . . . . 50.0 108.481 173.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.741 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 42.5 m -121.37 139.66 53.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.203 0.525 . . . . 75.0 111.182 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.87 176.55 6.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.942 -1.026 . . . . 50.0 111.942 -170.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.84 -18.18 6.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.773 -0.649 . . . . 50.0 110.998 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.479 ' CG ' ' HG1' ' A' ' 95' ' ' THR . 52.3 t-20 -140.45 143.79 35.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.671 0.388 . . . . 75.0 111.096 -178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 52.0 ptt85 -79.21 -18.41 53.0 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.617 0.599 . . . . 75.0 112.617 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.479 ' HG1' ' CG ' ' A' ' 93' ' ' ASN . 75.3 p -75.65 -27.12 58.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.093 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.38 -60.55 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.6 ptp -47.79 -40.72 21.71 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.658 0.614 . . . . 50.0 112.658 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.75 -20.85 61.82 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.306 0.379 . . . . 50.0 111.868 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.74 -28.49 23.02 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.516 0.327 . . . . 75.0 111.591 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -79.58 -54.41 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 N-CA-C 109.113 -0.699 . . . . 50.0 109.113 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -50.52 -41.91 54.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.193 0.997 . . . . 75.0 112.412 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.09 -59.08 5.62 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.344 0.403 . . . . 50.0 111.212 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 2' ' ' SER . 41.4 m -51.19 -58.94 4.83 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 110.035 -0.357 . . . . 25.0 110.035 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD22 HD12 ' A' ' 27' ' ' LEU . 96.0 mt -43.2 -59.24 2.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.917 0.887 . . . . 50.0 110.698 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -55.15 -31.3 61.22 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.964 0.727 . . . . 75.0 112.964 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -78.47 -21.12 49.49 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.518 0.327 . . . . 75.0 111.335 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 94.4 mt -85.32 -42.61 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.37 0.668 . . . . 75.0 111.706 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.41 -35.45 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.226 0.21 . . . . 50.0 111.252 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.447 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.6 p -62.4 -19.32 63.31 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.672 0.607 . . . . 75.0 111.818 175.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.41 -43.36 32.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.046 -0.525 . . . . 50.0 111.077 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -82.03 -1.97 50.13 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.273 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 24.1 tptp -88.49 -26.24 22.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.252 -0.885 . . . . 75.0 110.103 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -95.36 -17.47 21.57 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.246 -0.888 . . . . 50.0 111.438 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.26 -9.5 59.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.1 t0 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.642 -0.694 . . . . 50.0 110.387 -179.137 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.518 -0.233 . . . . 25.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.0 t -108.56 129.46 23.97 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 119.559 -0.257 . . . . 50.0 111.071 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -73.01 -17.9 24.59 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.471 2.114 . . . . 75.0 114.02 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 151.83 164.96 12.62 Favored Glycine 0 C--N 1.341 0.812 0 O-C-N 123.32 0.388 . . . . 50.0 112.737 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -116.44 130.85 24.18 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-O 119.472 -0.299 . . . . 50.0 111.089 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.47 146.87 45.34 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.327 2.018 . . . . 75.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -98.11 138.47 35.35 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.968 -0.56 . . . . 50.0 111.158 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 128.78 -123.24 4.22 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 115.776 -0.647 . . . . 50.0 112.464 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 54.5 mt -131.24 138.8 49.49 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.841 0.353 . . . . 75.0 110.145 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.14 95.14 7.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.584 -0.735 . . . . 50.0 109.805 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 51.2 m 66.64 60.28 0.58 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.149 0.979 . . . . 50.0 110.666 -174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -115.26 -94.61 1.97 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 114.916 -1.038 . . . . 75.0 112.771 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -130.74 -8.02 4.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.682 0.277 . . . . 75.0 111.603 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -103.76 2.62 33.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.847 -0.615 . . . . 75.0 112.376 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -114.21 -23.93 9.21 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.422 -0.808 . . . . 75.0 111.512 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -100.32 -13.34 18.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.269 0.47 . . . . 50.0 112.269 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 94.4 p -85.68 -3.99 59.04 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.208 0.318 . . . . 75.0 111.732 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.8 p -86.63 -35.65 19.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.299 -0.41 . . . . 75.0 110.91 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 29.6 pt -87.33 -23.82 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.888 -0.597 . . . . 50.0 110.415 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.1 6.94 26.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.432 0.634 . . . . 75.0 110.92 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -90.52 -29.04 18.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.698 -1.137 . . . . 75.0 109.078 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 95.4 mtp -75.94 -22.09 56.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.185 -0.916 . . . . 50.0 110.881 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -75.11 -32.77 61.48 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.371 -0.831 . . . . 50.0 112.525 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' B' ' 546' ' ' LEU . 0.2 OUTLIER -80.38 -37.43 32.32 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.15 0.796 . . . . 75.0 113.15 -170.499 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.7 p -76.68 -24.18 53.21 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.402 0.281 . . . . 50.0 111.571 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.78 -25.91 40.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.13 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' A' ' 55' ' ' SER . 56.6 mt -86.16 -39.85 16.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.371 0.668 . . . . 50.0 111.34 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 542' ' ' PHE . 4.4 mt -69.86 -29.96 67.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.336 -0.847 . . . . 75.0 111.392 -177.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 68.0 m -120.56 76.41 1.19 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.725 -0.671 . . . . 75.0 110.112 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -96.15 69.36 2.73 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.58 -0.736 . . . . 75.0 110.507 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 46.5 pt -105.27 -16.7 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.062 -0.972 . . . . 75.0 112.228 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 71.6 m -110.25 138.27 46.86 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.197 0.31 . . . . 50.0 111.142 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.758 -0.639 . . . . 50.0 111.058 179.595 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 1.523 ' CD ' ' CG ' ' A' ' 1' ' ' PRO . 91.8 Cg_exo . . . . . 0 N--CA 1.487 1.128 0 N-CA-C 111.242 -0.33 . . . . 25.0 111.242 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -141.0 124.62 16.84 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 56.7 m170 -84.38 -6.66 59.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.442 -0.799 . . . . 75.0 110.869 175.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 78.9 p -146.13 147.46 31.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.796 -0.638 . . . . 50.0 111.216 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -116.4 0.55 Allowed Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.124 -0.944 . . . . 75.0 111.865 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.18 126.38 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.642 0.377 . . . . 25.0 110.337 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 152.59 42.22 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 72.3 mt -110.02 140.21 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.972 -0.558 . . . . 75.0 109.853 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 27.3 t80 -145.65 126.78 14.7 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.855 -0.611 . . . . 75.0 109.745 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 9' ' ' PHE . 6.5 pt-20 59.02 38.16 24.23 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.812 0.845 . . . . 75.0 111.981 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 68.66 -2.31 1.7 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.542 1.137 . . . . 75.0 113.043 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.546 HG12 ' HD2' ' A' ' 36' ' ' LYS . 58.5 t -92.48 121.31 42.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 108.629 -0.878 . . . . 75.0 108.629 172.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.6 t -80.8 137.31 36.22 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.165 -0.47 . . . . 50.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.31 -158.61 8.75 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.492 -0.776 . . . . 75.0 113.268 -174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.83 138.46 54.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.778 -0.711 . . . . 75.0 109.627 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.547 HG23 HD13 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -103.3 137.72 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.116 -0.493 . . . . 75.0 110.437 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.15 146.31 44.84 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.426 0.454 . . . . 25.0 111.273 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.493 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 87.2 mt -104.01 131.15 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.313 0.578 . . . . 75.0 110.64 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -98.45 106.51 18.8 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.572 -1.195 . . . . 50.0 111.158 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -122.97 167.83 13.09 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.99 -0.744 . . . . 75.0 108.99 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 72.67 2.82 4.49 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.816 0.846 . . . . 50.0 110.592 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -102.97 -172.54 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.665 -1.152 . . . . 50.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.2 p -73.69 158.89 85.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.47 130.55 2.51 Favored 'Trans proline' 0 C--N 1.375 1.929 0 CA-C-N 122.11 1.789 . . . . 50.0 113.913 -139.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.21 138.24 12.74 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.24 -166.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.45 171.84 9.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.494 -1.685 . . . . 75.0 110.763 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD13 HG23 ' A' ' 16' ' ' ILE . 1.7 tp -123.25 121.94 37.14 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.45 -0.945 . . . . 75.0 108.45 166.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.19 108.21 16.66 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.365 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' HD1' HG13 ' A' ' 16' ' ' ILE . 91.0 t90 -84.83 135.03 34.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.665 -0.698 . . . . 50.0 109.612 171.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -128.12 150.04 50.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.347 -0.842 . . . . 75.0 109.437 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.689 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.78 164.41 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.136 -0.459 . . . . 50.0 110.028 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.1 m -53.43 -26.8 21.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -97.98 -30.78 12.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.309 -0.405 . . . . 50.0 111.223 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.42 32.11 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 116.106 -0.497 . . . . 75.0 113.924 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -79.09 -27.83 43.01 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.891 -0.411 . . . . 75.0 109.891 173.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.689 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 31.2 mttp -101.39 131.58 47.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.523 -0.762 . . . . 75.0 109.08 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 134.11 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-O 120.858 0.361 . . . . 50.0 111.535 -175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -129.0 148.37 50.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.641 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.58 140.09 51.96 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.131 0.491 . . . . 25.0 111.603 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 62' ' ' LEU . 46.7 t -127.3 107.54 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.618 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.0 t -82.68 120.87 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.74 -20.85 59.66 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.458 0.91 . . . . 75.0 113.458 -171.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -68.29 -5.18 17.18 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.196 0.522 . . . . 50.0 110.442 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.38 7.33 15.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.891 -1.05 . . . . 25.0 110.179 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -113.5 142.61 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.561 -0.745 . . . . 75.0 109.874 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -112.24 -45.8 3.25 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.687 -0.688 . . . . 50.0 111.558 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.595 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 22.8 mttp -132.64 169.94 15.92 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.737 0.643 . . . . 75.0 112.737 -177.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -149.52 131.88 15.61 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 178.029 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' HE2' ' B' ' 542' ' ' PHE . 93.7 mt-30 -131.66 115.29 15.86 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 111.884 0.327 . . . . 75.0 111.884 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' C ' ' HZ ' ' B' ' 542' ' ' PHE . . . -115.89 153.63 31.19 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.836 0.68 . . . . 75.0 112.836 -175.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.704 ' CG2' ' HG2' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.84 126.9 92.21 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 123.505 0.722 . . . . 50.0 111.836 -177.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 165.55 11.08 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.815 2.343 . . . . 75.0 113.132 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -7.81 55.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.202 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -96.47 -16.35 21.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.01 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.6 141.02 50.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.566 -0.743 . . . . 50.0 112.906 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.08 -19.9 66.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.742 -1.117 . . . . 50.0 111.674 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.542 ' CB ' HG21 ' A' ' 51' ' ' THR . 68.6 mttt -93.81 154.67 17.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.653 -1.158 . . . . 50.0 112.937 -172.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' SER . 58.4 mtm -127.2 98.43 5.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.962 -1.017 . . . . 75.0 108.859 169.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.704 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 25.5 ptm -155.36 156.71 35.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.127 -0.488 . . . . 50.0 112.167 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -139.89 118.82 12.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.202 -0.908 . . . . 50.0 109.126 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.73 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 53.3 ttm-85 -100.22 146.37 26.96 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.896 0.379 . . . . 75.0 111.011 -177.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -128.21 104.86 7.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.363 -0.835 . . . . 50.0 109.883 179.031 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 25.4 mt -84.98 135.28 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.798 -0.637 . . . . 50.0 110.078 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.63 163.7 28.67 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.739 -0.664 . . . . 50.0 113.789 -174.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -89.1 110.29 21.04 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.514 0.673 . . . . 75.0 112.06 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 84' ' ' PRO . 2.8 t -122.91 147.69 27.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.431 -1.259 . . . . 50.0 110.7 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -96.03 99.9 11.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.181 -0.918 . . . . 75.0 110.054 174.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -85.05 -2.11 57.61 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.795 -0.639 . . . . 75.0 111.314 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -71.45 -13.04 61.7 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.064 -0.517 . . . . 50.0 111.092 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.12 141.6 28.64 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.983 -0.553 . . . . 75.0 110.581 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -99.74 131.95 45.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.803 -1.09 . . . . 75.0 111.935 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.545 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 77.9 ttt-85 -123.19 137.39 54.9 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.909 -0.775 . . . . 75.0 108.909 169.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -119.71 135.06 54.99 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.805 -0.442 . . . . 75.0 109.805 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.978 ' CB ' ' OE2' ' A' ' 76' ' ' GLU . 36.2 m-20 -78.93 -179.49 6.65 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.866 -0.606 . . . . 50.0 110.706 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.05 -32.47 61.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.144 0.794 . . . . 75.0 113.144 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.978 ' OE2' ' CB ' ' A' ' 74' ' ' ASP . 1.3 pm0 -73.92 -21.85 59.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.178 0.436 . . . . 50.0 112.178 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.6 14.86 42.34 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 116.161 -0.472 . . . . 50.0 112.781 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.459 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 63.8 t30 -80.91 150.31 29.08 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.637 0.375 . . . . 75.0 110.696 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -76.49 105.66 7.67 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.192 0.52 . . . . 50.0 110.227 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 80' ' ' VAL . 8.3 p -116.08 98.91 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.109 -0.951 . . . . 50.0 109.034 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.44 121.38 70.25 Favored Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 115.373 -0.831 . . . . 50.0 110.713 -172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.99 130.71 31.85 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.079 2.519 . . . . 75.0 114.211 -171.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.03 157.26 35.29 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 114.439 -1.255 . . . . 75.0 112.738 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 58.7 Cg_endo -66.72 150.23 83.58 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.997 2.464 . . . . 75.0 114.19 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -92.69 134.25 35.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.877 -1.056 . . . . 75.0 110.815 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.73 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 58.0 mtt85 -118.96 133.5 55.79 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.881 -0.6 . . . . 75.0 110.751 -172.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 97.3 m-70 -111.12 114.65 28.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.836 0.454 . . . . 75.0 111.262 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.6 mtm -96.34 149.24 21.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.671 0.272 . . . . 75.0 110.791 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 59' ' ' MET . 92.2 m-85 -140.61 125.45 18.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.997 -0.547 . . . . 50.0 109.629 175.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.738 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.54 144.35 29.56 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.951 0.405 . . . . 75.0 111.138 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -127.77 176.45 7.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.811 -173.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.41 -18.89 7.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.739 -0.664 . . . . 50.0 110.858 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -140.65 143.48 35.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.728 0.411 . . . . 75.0 111.075 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HA ' ' HE3' ' A' ' 97' ' ' MET . 8.5 mpt_? -79.08 -18.15 53.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.642 0.608 . . . . 75.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.38 -21.58 55.87 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.221 0.325 . . . . 25.0 111.348 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.03 -62.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.411 -0.589 . . . . 50.0 109.411 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 94' ' ' ARG . 24.0 ptp -46.39 -39.94 11.23 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.57 -24.63 61.95 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.498 0.499 . . . . 50.0 111.611 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -87.05 -32.29 20.07 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.454 0.471 . . . . 75.0 111.901 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.56 -54.04 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 172.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.18 -43.09 61.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.278 1.031 . . . . 75.0 112.145 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.1 ttp -54.63 -52.29 62.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.222 0.609 . . . . 75.0 111.697 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -60.13 -58.26 9.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.3 mt -43.67 -59.47 2.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.11 0.964 . . . . 50.0 110.884 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -50.15 -32.16 15.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.158 0.983 . . . . 75.0 113.44 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.93 -20.42 32.99 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.252 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.59 -41.12 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.355 0.662 . . . . 75.0 111.561 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.26 -35.52 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 120.521 0.2 . . . . 50.0 110.878 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.6 p -64.88 -16.96 63.87 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.809 -0.632 . . . . 50.0 111.565 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.76 -39.76 35.21 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.616 173.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -87.55 -0.82 57.39 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.989 -0.551 . . . . 50.0 111.228 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 29.2 tptp -89.62 -30.13 18.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.423 -0.808 . . . . 75.0 110.008 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -93.07 -14.81 26.83 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.199 -0.91 . . . . 50.0 111.581 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.77 60.43 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 58.5 t0 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.877 -0.582 . . . . 50.0 111.335 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.484 -0.246 . . . . 25.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 25.6 t -114.96 124.63 30.06 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 122.324 0.249 . . . . 50.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -73.73 -21.98 18.34 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.431 2.087 . . . . 75.0 113.913 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 118.93 -83.59 0.35 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.536 0.522 . . . . 50.0 112.714 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.05 112.46 64.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 119.56 -0.257 . . . . 50.0 111.043 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.35 147.5 93.54 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.67 2.246 . . . . 75.0 113.136 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -115.92 -35.39 4.46 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 154.13 -146.88 15.48 Favored Glycine 0 C--N 1.34 0.778 0 C-N-CA 121.43 -0.414 . . . . 50.0 112.659 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.65 25.45 10.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.926 0.393 . . . . 50.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 85.6 mt -83.12 9.35 10.63 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.055 -0.52 . . . . 50.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 64.3 p -134.88 -36.26 0.84 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.098 -0.501 . . . . 50.0 111.108 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 136.44 94.05 0.38 Allowed Glycine 0 C--N 1.34 0.782 0 O-C-N 123.385 0.428 . . . . 50.0 112.584 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -121.63 -9.62 8.89 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.934 0.397 . . . . 50.0 110.381 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -101.54 7.15 42.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.439 -0.801 . . . . 75.0 111.899 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.95 1.06 55.19 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.042 -0.981 . . . . 75.0 111.237 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -88.4 -1.46 58.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.958 0.355 . . . . 50.0 111.958 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 93.5 p -85.8 -6.63 59.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.388 -0.369 . . . . 50.0 111.56 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 91.8 p -82.49 -33.3 28.41 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.32 -0.4 . . . . 75.0 110.916 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 46.0 pt -86.96 -20.23 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 115.651 -0.704 . . . . 50.0 110.137 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -88.55 4.45 46.73 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.368 0.604 . . . . 75.0 110.931 172.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.481 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 31.4 t70 -98.5 -29.53 13.04 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.809 -1.087 . . . . 75.0 109.433 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.0 mtp -72.18 -18.72 61.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.285 -0.87 . . . . 75.0 110.2 173.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -85.67 -27.56 25.27 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.854 -1.066 . . . . 75.0 112.73 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.528 ' HE2' ' O ' ' A' ' 49' ' ' GLN . 2.4 t80 -84.09 -43.04 15.46 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 112.211 0.448 . . . . 75.0 112.211 -175.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 87.1 p -63.07 -31.24 72.33 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 113.223 0.823 . . . . 50.0 113.223 -171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -85.05 -26.57 26.91 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.902 0.382 . . . . 25.0 111.223 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.57 -12.0 49.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.267 -0.879 . . . . 75.0 111.178 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.6 tp -100.4 -32.56 10.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.872 -0.604 . . . . 75.0 111.139 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 36.8 t -106.92 97.05 6.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.769 -0.651 . . . . 50.0 109.979 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -112.73 76.3 0.97 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.611 -0.722 . . . . 75.0 110.411 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.2 mt -117.47 122.58 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.374 -0.83 . . . . 50.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -123.5 -41.15 2.3 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.849 -0.614 . . . . 50.0 111.219 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.835 -0.602 . . . . 50.0 110.937 179.847 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo . . . . . 0 N--CA 1.486 1.037 0 N-CA-C 111.01 -0.419 . . . . 25.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -138.11 136.43 36.73 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.09 -0.504 . . . . 25.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 54.3 m170 -88.64 -3.98 58.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.416 -0.811 . . . . 75.0 111.12 176.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p -146.38 150.42 35.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.301 -176.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 15' ' ' ILE . . . -159.48 -117.93 0.49 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.225 -0.898 . . . . 75.0 112.192 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 127.62 13.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.657 0.383 . . . . 25.0 110.297 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.77 42.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.766 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 68.5 mt -113.83 139.32 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.676 -0.693 . . . . 75.0 109.444 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -143.79 116.88 8.9 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.854 -0.612 . . . . 75.0 109.81 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 63.17 42.59 7.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.908 0.883 . . . . 75.0 112.037 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.67 -8.49 0.91 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.77 1.228 . . . . 75.0 113.762 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 1.014 HG23 ' HZ2' ' A' ' 36' ' ' LYS . 94.4 t -93.07 118.64 39.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.17 -0.678 . . . . 50.0 109.17 173.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -81.19 138.97 35.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 50.0 111.406 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.06 -158.91 8.98 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.299 -0.864 . . . . 75.0 113.31 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 5' ' ' GLY . 91.7 mt -126.18 137.03 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 114.927 -0.636 . . . . 75.0 109.559 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.488 HD13 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.96 138.82 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.734 -177.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.19 145.89 44.23 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.098 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.524 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 85.5 mt -103.18 131.9 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.264 0.554 . . . . 75.0 110.236 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . 2.0 t-20 -100.23 107.15 18.91 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.737 -1.119 . . . . 50.0 111.375 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -123.98 167.57 13.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.614 -0.721 . . . . 75.0 109.107 173.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 72.86 2.72 4.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.855 0.862 . . . . 50.0 110.56 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.99 -172.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 114.591 -1.186 . . . . 50.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -73.6 160.68 81.66 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 105.373 -2.084 . . . . 50.0 105.373 172.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -40.95 130.02 2.89 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 122.262 1.844 . . . . 50.0 113.555 -140.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.21 17.61 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.121 -1.399 . . . . 25.0 113.14 -165.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -123.93 172.03 9.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 113.537 -1.665 . . . . 75.0 111.116 -168.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.601 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -126.97 109.64 12.14 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.007 -1.109 . . . . 75.0 108.007 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -109.63 114.43 28.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.135 -170.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 83.4 t90 -92.43 127.58 37.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.579 -0.737 . . . . 50.0 110.425 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -111.36 162.7 14.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.151 -0.931 . . . . 75.0 110.993 170.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.7 p -76.4 172.57 12.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.373 -0.83 . . . . 50.0 108.995 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.6 m -56.98 -28.74 62.63 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 118.817 0.735 . . . . 25.0 112.433 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.2 -27.07 13.7 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.173 -0.467 . . . . 50.0 110.027 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . 96.14 18.39 31.63 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.608 -0.724 . . . . 75.0 113.505 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -66.72 -27.64 67.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.642 0.377 . . . . 75.0 110.515 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 1.014 ' HZ2' HG23 ' A' ' 12' ' ' VAL . 90.3 mttt -109.86 135.41 50.8 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.718 -0.673 . . . . 75.0 109.196 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 45.6 t -144.64 131.51 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 120.665 0.269 . . . . 50.0 111.455 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -125.71 148.41 49.05 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.864 -0.607 . . . . 50.0 109.491 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.35 127.65 41.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.907 0.384 . . . . 25.0 111.844 -175.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.9 t -112.24 107.16 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.455 -0.793 . . . . 50.0 110.13 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' O ' ' OG1' ' A' ' 44' ' ' THR . 81.5 t -81.74 120.9 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.604 -0.888 . . . . 50.0 108.604 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD11 HD21 ' A' ' 104' ' ' LEU . 2.8 mm? -73.76 -22.99 59.67 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.905 1.076 . . . . 75.0 113.905 -171.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -68.3 -2.26 7.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.072 0.463 . . . . 75.0 111.052 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 56.4 p -115.24 3.83 14.36 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.198 -0.91 . . . . 25.0 110.127 176.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -112.22 141.94 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 115.365 -0.834 . . . . 75.0 109.772 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -109.97 -47.62 3.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.995 -0.548 . . . . 50.0 111.535 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HB2' HD13 ' A' ' 63' ' ' ILE . 99.7 mttt -133.16 175.0 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 120.774 0.321 . . . . 75.0 111.79 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.03 131.01 14.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.686 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 95.5 mt-30 -129.13 113.89 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.668 0.27 . . . . 75.0 111.625 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' A' ' 60' ' ' LEU . . . -113.42 153.35 28.76 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.538 0.57 . . . . 75.0 112.538 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.695 HG21 ' HG2' ' A' ' 59' ' ' MET . 1.1 p -70.82 122.12 85.87 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 115.84 -0.618 . . . . 75.0 111.621 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.93 163.21 11.83 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.657 2.238 . . . . 75.0 112.853 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 -9.0 58.12 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.682 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -92.95 -18.3 22.91 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 50.0 111.031 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -74.34 138.75 43.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.849 -0.614 . . . . 50.0 112.201 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -64.01 -17.96 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.085 -0.961 . . . . 50.0 111.95 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' CB ' HG23 ' A' ' 51' ' ' THR . 63.6 mttm -94.43 156.14 16.62 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.542 -1.208 . . . . 50.0 113.119 -171.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.1 mtm -127.04 99.05 5.55 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.821 -1.082 . . . . 75.0 109.238 170.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.695 ' HG2' HG21 ' A' ' 51' ' ' THR . 3.4 ptm -155.69 155.02 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.949 -0.569 . . . . 50.0 111.605 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 50' ' ' ALA . 16.5 tp -136.58 118.56 15.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.375 -0.829 . . . . 50.0 109.031 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.664 ' NH2' ' HA ' ' B' ' 539' ' ' ASP . 43.4 ttm180 -101.68 147.32 26.59 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.222 0.534 . . . . 75.0 111.927 -175.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.6 mm? -128.4 104.01 7.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.838 -1.074 . . . . 50.0 109.919 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.635 HG12 ' HG2' ' A' ' 86' ' ' ARG . 81.7 mt -85.61 137.77 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.158 -0.473 . . . . 50.0 109.933 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.27 165.65 30.29 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.788 -0.642 . . . . 50.0 113.771 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.43 132.95 34.76 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 123.2 0.6 . . . . 75.0 111.728 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' A' ' 84' ' ' PRO . 42.9 t -118.76 134.86 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.984 -0.553 . . . . 50.0 111.902 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -98.4 84.25 3.18 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.498 -0.927 . . . . 50.0 108.498 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.09 -1.38 0.96 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.452 0.908 . . . . 75.0 113.452 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -76.41 -3.99 39.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.6 0.36 . . . . 50.0 111.471 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -89.71 27.56 1.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.961 0.504 . . . . 75.0 111.098 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.9 125.76 7.87 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.354 0.872 . . . . 75.0 113.354 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -107.04 151.44 25.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.731 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.07 140.01 52.59 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.722 -0.473 . . . . 75.0 109.722 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.6 p30 -80.92 -170.74 2.83 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.994 -0.548 . . . . 50.0 112.256 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -55.8 -32.19 63.3 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.978 1.103 . . . . 75.0 113.978 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.13 -18.4 23.59 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.118 0.414 . . . . 50.0 112.118 -176.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.08 22.88 8.46 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.543 -0.36 . . . . 50.0 113.124 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -89.43 148.12 23.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.074 -0.343 . . . . 75.0 110.074 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.489 ' HG2' HG22 ' A' ' 81' ' ' VAL . 87.6 tt0 -73.97 117.58 15.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.095 -0.502 . . . . 50.0 111.381 -174.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -124.44 99.85 6.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.212 -0.904 . . . . 50.0 109.187 173.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 79' ' ' GLU . 50.4 t -98.47 124.88 45.01 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.326 -0.852 . . . . 50.0 110.696 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.64 135.06 43.59 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.758 2.306 . . . . 75.0 113.278 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.07 162.0 26.38 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 114.617 -1.174 . . . . 75.0 111.756 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HB3' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -70.32 151.34 65.82 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.251 1.967 . . . . 75.0 113.29 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -92.73 131.23 37.98 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.006 -0.997 . . . . 75.0 110.854 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.635 ' HG2' HG12 ' A' ' 63' ' ' ILE . 90.4 mtt180 -112.62 114.77 27.56 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.745 -0.662 . . . . 75.0 110.249 -177.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.5 m-70 -97.33 112.26 24.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.178 -0.464 . . . . 75.0 110.602 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 74.1 mtm -106.95 136.51 46.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.972 -0.558 . . . . 75.0 111.003 -174.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.0 m-85 -126.4 130.16 50.19 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.309 -0.86 . . . . 50.0 109.976 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.766 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 39.9 m -83.89 142.7 30.39 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.988 0.423 . . . . 75.0 111.297 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.76 176.45 6.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.412 -0.813 . . . . 50.0 111.751 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -122.42 -17.57 7.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.743 -0.662 . . . . 75.0 111.874 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.31 143.45 32.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.592 0.357 . . . . 75.0 111.039 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.0 -18.16 54.13 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.75 -0.659 . . . . 75.0 112.41 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.15 -19.29 54.32 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.337 0.398 . . . . 25.0 111.244 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -82.72 -59.84 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -48.46 -40.71 27.28 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.739 0.644 . . . . 50.0 112.739 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -69.8 -21.22 63.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.426 0.454 . . . . 50.0 111.935 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.94 -29.37 22.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.842 0.457 . . . . 75.0 111.713 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 104' ' ' LEU . 48.8 mm -78.83 -54.49 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 173.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.15 -42.11 63.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 75.0 112.891 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 ttp -55.91 -56.85 15.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.834 0.453 . . . . 50.0 111.599 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -54.81 -58.48 7.41 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.451 0.469 . . . . 25.0 110.124 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD21 HD11 ' A' ' 42' ' ' LEU . 86.4 mt -43.7 -59.5 2.18 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.872 0.869 . . . . 50.0 110.935 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -52.1 -30.76 27.63 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.275 0.843 . . . . 75.0 113.275 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.71 -19.72 34.74 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.076 -0.511 . . . . 75.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.58 -43.57 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.379 0.672 . . . . 75.0 111.675 175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.6 mt -70.25 -38.97 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.097 0.159 . . . . 50.0 111.242 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -60.48 -17.14 43.04 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.656 0.597 . . . . 75.0 112.071 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -79.51 -43.66 22.7 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.577 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -80.47 -3.33 49.54 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.714 -0.675 . . . . 50.0 111.416 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -89.3 -28.37 19.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.453 -0.794 . . . . 50.0 110.298 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -91.33 -33.71 15.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.478 -0.783 . . . . 50.0 111.228 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.7 89.33 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.935 0.894 . . . . 25.0 112.487 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 117.91 -1.043 . . . . 50.0 111.363 179.325 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.562 -0.215 . . . . 25.0 112.562 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 13.9 t -118.28 132.96 23.53 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 122.417 0.287 . . . . 50.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.43 -17.34 27.07 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.586 2.191 . . . . 75.0 113.915 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 139.14 -140.05 10.61 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.375 0.422 . . . . 50.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 57.13 85.19 0.19 Allowed Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.843 0.857 . . . . 75.0 112.133 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.28 128.67 14.02 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.704 2.269 . . . . 75.0 112.931 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -135.76 124.28 23.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.82 -0.627 . . . . 50.0 110.159 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 121.98 -48.37 0.96 Allowed Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.889 -0.596 . . . . 50.0 113.099 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.17 143.83 51.17 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.974 0.416 . . . . 50.0 111.319 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 50.9 tp -132.91 95.56 3.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.242 -0.89 . . . . 75.0 109.32 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.6 m 60.48 28.72 18.39 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.74 0.816 . . . . 50.0 111.758 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -106.74 -11.77 25.91 Favored Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.57 -0.741 . . . . 75.0 113.302 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -127.99 11.49 6.57 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.903 0.382 . . . . 50.0 110.353 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -93.77 11.47 29.09 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.831 -0.622 . . . . 75.0 112.273 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.1 9.26 41.44 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.226 -0.897 . . . . 75.0 111.409 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -72.22 -7.07 47.26 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.743 0.645 . . . . 75.0 112.743 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.6 p -82.48 -4.01 56.77 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.565 0.346 . . . . 50.0 111.773 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.7 p -87.8 -33.02 18.77 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.211 -0.449 . . . . 75.0 110.699 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.32 -26.29 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.734 -0.666 . . . . 50.0 110.384 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -84.15 4.24 31.36 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.258 0.551 . . . . 75.0 111.281 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.664 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 16.3 t70 -98.05 -26.68 14.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.911 -1.041 . . . . 75.0 109.412 174.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -75.5 -19.54 59.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.327 -0.851 . . . . 50.0 110.595 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -73.3 -31.56 64.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.776 -1.102 . . . . 50.0 113.123 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.686 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 12.2 t80 -76.79 -17.27 59.13 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.237 0.828 . . . . 75.0 113.237 -173.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -76.97 -16.58 59.3 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.08 -19.47 23.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.981 0.364 . . . . 25.0 111.981 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 98.4 mt -87.22 -40.35 14.63 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.603 0.594 . . . . 75.0 112.603 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 37.8 tp -85.88 -16.97 36.87 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.911 0.386 . . . . 50.0 110.918 -175.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 49.7 m -100.44 -53.36 3.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.314 -0.857 . . . . 75.0 110.358 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 50.1 98.04 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.15 0.98 . . . . 75.0 112.836 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -114.92 122.45 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.583 -0.735 . . . . 50.0 109.818 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 31.2 t -117.48 134.02 55.32 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.734 -0.667 . . . . 50.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.655 -0.688 . . . . 50.0 110.679 -179.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 N--CA 1.485 1.006 0 N-CA-C 111.269 -0.32 . . . . 25.0 111.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' SER . 77.7 p -126.23 -39.5 2.06 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.332 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CD2' ' HG1' ' A' ' 103' ' ' THR . 60.6 m170 69.54 -26.54 0.15 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.341 1.056 . . . . 75.0 112.953 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' SER . 39.0 t -135.24 140.4 45.21 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.793 0.33 . . . . 75.0 111.281 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.39 -117.0 0.85 Allowed Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.384 -0.825 . . . . 75.0 112.025 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.55 127.49 14.51 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.635 0.374 . . . . 25.0 110.298 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.25 155.46 43.87 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.756 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 81.6 mt -112.72 139.36 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.597 -0.729 . . . . 75.0 109.231 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -142.29 120.84 12.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.053 -0.521 . . . . 75.0 109.64 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' ' CG ' ' B' ' 531' ' ' ASP . 67.7 mt-10 61.72 40.8 12.68 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.743 0.817 . . . . 75.0 111.952 -178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 71.57 -7.0 1.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.656 1.183 . . . . 75.0 113.57 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.6 t -94.55 125.17 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.221 -0.659 . . . . 50.0 109.221 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -84.32 137.37 33.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.506 . . . . 75.0 111.482 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.8 -158.06 8.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.072 -0.967 . . . . 75.0 112.971 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 137.58 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.233 -0.484 . . . . 75.0 109.753 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.579 HD12 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 137.85 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 75.0 110.725 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.64 141.01 41.19 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.497 0.498 . . . . 25.0 111.26 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 3' ' ' HIS . 92.8 mt -97.05 130.26 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.168 0.509 . . . . 75.0 110.17 176.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.6 106.44 18.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.853 -1.067 . . . . 50.0 111.455 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -122.36 168.1 12.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.637 -0.711 . . . . 75.0 109.157 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 72.72 2.26 4.29 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.833 0.853 . . . . 50.0 111.658 -171.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -101.67 -171.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.202 -1.363 . . . . 50.0 109.76 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -73.24 166.51 43.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 106.128 -1.805 . . . . 75.0 106.128 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.44 129.17 3.49 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.411 1.897 . . . . 50.0 113.284 -143.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' H ' ' HH ' ' A' ' 111' ' ' TYR . . . -50.44 138.43 17.26 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 114.367 -1.288 . . . . 25.0 113.17 -165.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.74 172.29 8.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.599 -1.637 . . . . 75.0 111.162 -168.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 39.4 tp -127.47 109.9 12.22 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.768 -1.197 . . . . 75.0 107.768 173.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -109.01 112.03 24.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.337 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 78.1 t90 -87.76 133.78 33.8 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.331 -0.849 . . . . 50.0 109.49 170.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -127.19 159.3 34.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 75.0 109.493 173.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.6 p -68.14 169.01 11.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.884 -0.413 . . . . 50.0 109.884 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 -28.62 58.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -99.89 -30.4 12.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.448 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.83 18.07 16.81 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.541 -0.754 . . . . 75.0 113.701 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.62 -27.78 65.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.587 0.355 . . . . 50.0 111.499 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 0.2 OUTLIER -109.5 142.33 40.68 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.304 -0.628 . . . . 75.0 109.304 174.159 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.29 136.95 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 N-CA-C 111.978 0.362 . . . . 50.0 111.978 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.3 m-70 -133.2 145.76 50.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.546 -0.752 . . . . 50.0 109.36 176.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -128.96 131.06 47.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.062 0.458 . . . . 25.0 112.02 -174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG12 HD23 ' A' ' 62' ' ' LEU . 3.4 t -114.42 107.64 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.193 -0.912 . . . . 50.0 109.987 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.57 121.13 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.66 -0.867 . . . . 50.0 108.66 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.53 -20.84 59.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.721 1.008 . . . . 75.0 113.721 -171.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -69.01 -4.62 17.61 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.241 0.543 . . . . 50.0 110.416 175.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.24 6.28 14.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.834 -1.076 . . . . 25.0 110.139 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.3 mm -113.56 142.63 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.49 -0.777 . . . . 75.0 109.665 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.95 -45.65 3.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.559 . . . . 50.0 111.49 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.66 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 57.1 mttp -132.32 168.59 17.83 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.525 0.565 . . . . 75.0 112.525 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' A' ' 104' ' ' LEU . 4.9 mt -147.96 136.12 21.3 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -135.76 119.24 16.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.388 0.137 . . . . 75.0 111.045 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 144.39 41.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.124 0.416 . . . . 50.0 112.124 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.4 p -62.68 120.97 64.8 Favored Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 123.192 0.597 . . . . 75.0 111.514 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -54.55 163.21 3.92 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.969 2.446 . . . . 75.0 113.452 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 94' ' ' ARG . . . -71.26 -11.27 60.83 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.8 -0.636 . . . . 25.0 112.041 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.723 ' HG ' HE22 ' B' ' 548' ' ' GLN . 94.2 p -95.66 -17.48 21.28 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.825 -0.625 . . . . 75.0 111.331 175.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.533 ' HG ' HD21 ' B' ' 545' ' ' LEU . 39.9 t -70.75 138.01 50.12 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.708 0.633 . . . . 50.0 112.708 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.41 -30.79 41.98 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.378 -1.283 . . . . 75.0 112.394 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -90.74 145.83 24.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 113.766 -1.561 . . . . 50.0 112.928 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.453 ' C ' ' HG3' ' A' ' 59' ' ' MET . 91.5 mmm -117.59 97.54 5.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.375 -0.83 . . . . 75.0 109.172 167.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.453 ' HG3' ' C ' ' A' ' 58' ' ' MET . 38.8 mtt -154.8 150.85 27.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.643 -0.708 . . . . 50.0 111.88 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 tp -127.97 119.37 25.36 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.944 -1.025 . . . . 50.0 109.203 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -101.38 147.24 26.56 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.207 0.527 . . . . 75.0 112.21 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.662 HD23 HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -128.24 106.19 8.87 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.768 -1.105 . . . . 50.0 110.026 178.583 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.66 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 91.3 mt -85.0 129.88 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 116.075 -0.511 . . . . 50.0 109.727 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.27 168.62 38.81 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.837 -0.619 . . . . 50.0 113.891 -174.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -90.5 112.29 23.89 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.541 0.686 . . . . 75.0 112.367 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.68 148.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.441 -1.254 . . . . 50.0 110.414 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -91.68 93.93 9.14 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.444 -0.798 . . . . 75.0 110.501 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 82' ' ' PRO . 99.3 mt-10 -86.31 -4.04 59.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.84 -0.618 . . . . 75.0 111.783 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -68.96 -18.53 64.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.884 0.373 . . . . 50.0 110.678 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' HG12 ' A' ' 81' ' ' VAL . 99.1 mttt -97.51 129.68 44.65 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.369 -0.832 . . . . 75.0 109.963 172.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HB3' HG22 ' A' ' 81' ' ' VAL . 67.3 mttt -100.71 145.65 28.2 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.755 -0.657 . . . . 75.0 111.567 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 39.1 mtp-105 -110.71 154.42 23.91 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.268 -1.012 . . . . 75.0 108.268 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.66 143.07 51.18 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.155 -0.313 . . . . 75.0 110.155 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -87.47 -169.59 2.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.751 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.09 -31.59 63.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.839 1.051 . . . . 50.0 113.839 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -92.08 -18.12 24.03 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.22 8.06 Favored Glycine 0 C--N 1.34 0.796 0 C-N-CA 121.492 -0.385 . . . . 50.0 113.189 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -91.03 142.35 27.86 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.211 -0.292 . . . . 75.0 110.211 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -72.91 100.81 3.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 50.0 111.182 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 59.4 t -106.78 99.88 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.416 173.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 70' ' ' LYS . 13.7 t -92.44 126.32 52.85 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 116.024 -0.534 . . . . 50.0 111.387 -172.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 37.7 Cg_endo -58.48 128.64 29.13 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 123.448 2.765 . . . . 75.0 114.209 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -96.97 156.81 35.97 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 114.873 -1.058 . . . . 75.0 111.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.55 152.51 70.4 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 123.01 2.473 . . . . 75.0 113.866 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -92.43 138.73 31.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.136 -0.938 . . . . 75.0 110.759 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' HG12 ' A' ' 63' ' ' ILE . 92.7 mtt180 -114.66 121.71 44.24 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.951 -0.568 . . . . 75.0 110.817 -173.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 -97.18 112.98 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.766 -0.652 . . . . 75.0 110.746 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 63.1 ttp -104.13 137.98 41.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.526 0.679 . . . . 75.0 111.658 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 75.8 m-85 -116.7 164.0 15.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 114.32 -1.309 . . . . 50.0 108.326 172.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.756 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 67.4 m -121.32 135.88 55.04 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.315 0.579 . . . . 75.0 111.114 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CD2' ' CG ' ' A' ' 97' ' ' MET . 11.1 m-85 -121.86 176.5 5.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.886 -1.052 . . . . 50.0 111.84 -172.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.59 -19.88 7.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 50.0 110.898 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.586 0.355 . . . . 75.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.533 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -74.38 -19.66 60.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.826 -0.625 . . . . 75.0 112.432 178.066 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.6 p -73.9 -20.35 60.42 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.246 0.341 . . . . 25.0 111.224 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.3 t -82.97 -57.93 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.92 -0.77 . . . . 50.0 108.92 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.516 ' CG ' ' CD2' ' A' ' 91' ' ' PHE . 78.8 mtm -49.56 -43.05 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 112.795 0.665 . . . . 75.0 112.795 -178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -70.29 -21.35 62.96 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.488 -0.778 . . . . 50.0 111.82 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.1 -37.93 15.82 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.958 0.503 . . . . 75.0 112.14 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.74 -52.89 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -53.89 -42.3 68.51 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.849 0.859 . . . . 75.0 111.964 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.9 ttp -51.65 -52.2 49.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.163 0.585 . . . . 75.0 111.75 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.501 ' HG1' ' CD2' ' A' ' 3' ' ' HIS . 99.0 m -61.6 -57.91 10.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' A' ' 48' ' ' LEU . 96.0 mt -43.72 -58.8 2.51 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.007 0.923 . . . . 50.0 110.866 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -48.79 -33.24 10.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.309 1.043 . . . . 75.0 113.326 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -83.33 -20.3 34.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.046 -0.524 . . . . 75.0 111.24 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.0 -41.93 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.177 0.591 . . . . 75.0 111.897 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.18 -35.73 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 117.967 0.349 . . . . 50.0 110.791 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -63.63 -18.03 63.51 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.896 -0.593 . . . . 50.0 111.601 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -76.87 -41.37 44.17 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.674 172.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 65.9 m-85 -86.53 1.29 52.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.391 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -92.4 -31.84 15.16 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.351 -0.84 . . . . 50.0 109.997 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -89.72 -33.8 16.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.329 -0.85 . . . . 50.0 111.203 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.84 87.4 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.036 0.934 . . . . 25.0 112.539 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.966 -1.016 . . . . 50.0 111.302 179.328 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.482 -0.247 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 34.5 t 59.45 101.15 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.31 0 C-N-CA 123.989 0.916 . . . . 50.0 111.912 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.57 144.34 97.62 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.862 2.375 . . . . 50.0 113.467 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -153.46 -86.28 0.05 OUTLIER Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.767 -0.651 . . . . 50.0 112.429 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -118.68 96.24 49.8 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.262 -0.273 . . . . 50.0 110.262 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . 0.605 ' CB ' HD21 ' B' ' 528' ' ' LEU . 37.2 Cg_exo -69.22 136.58 34.83 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.619 2.213 . . . . 75.0 112.941 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -135.95 130.07 33.13 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.842 -0.617 . . . . 50.0 110.357 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.1 -102.65 0.89 Allowed Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.984 -0.553 . . . . 50.0 112.871 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.45 123.35 50.09 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.846 0.355 . . . . 75.0 110.287 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.605 HD21 ' CB ' ' B' ' 524' ' ' PRO . 64.8 mt -122.49 -2.49 8.94 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.518 -0.765 . . . . 50.0 110.475 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 -49.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.986 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 107.24 74.38 0.88 Allowed Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.118 -0.492 . . . . 50.0 112.754 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . 0.418 ' CG ' ' HG2' ' A' ' 10' ' ' GLU . 26.5 t70 -114.13 -2.64 13.39 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.927 0.394 . . . . 50.0 111.237 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -106.27 10.22 31.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.415 -0.811 . . . . 75.0 112.301 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -95.0 -38.47 10.65 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.414 -0.812 . . . . 75.0 111.403 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.24 -10.25 20.52 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.453 0.538 . . . . 75.0 112.453 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 61.0 p -85.81 -3.24 58.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.221 0.326 . . . . 50.0 111.718 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.8 p -86.21 -34.47 20.47 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.807 175.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -90.86 -27.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 115.812 -0.631 . . . . 50.0 110.516 175.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -84.94 9.51 14.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.392 0.615 . . . . 50.0 111.163 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -32.23 12.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.871 -1.058 . . . . 75.0 109.514 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.2 mmm -73.66 -17.7 61.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.67 -0.696 . . . . 50.0 110.971 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 74.2 m-20 -73.76 -32.7 63.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.083 -0.962 . . . . 50.0 112.357 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.73 -23.24 39.58 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.212 0.819 . . . . 75.0 113.212 -173.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.01 -18.07 44.6 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.797 0.295 . . . . 50.0 111.797 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.36 -17.15 26.32 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.763 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.533 HD21 ' HG ' ' A' ' 55' ' ' SER . 76.0 mt -86.85 -38.43 16.8 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.743 0.645 . . . . 50.0 112.743 -177.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 97.3 mt -78.43 -28.43 46.73 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.9 0.381 . . . . 50.0 111.002 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 78.2 p -90.76 -57.89 2.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.203 -0.908 . . . . 50.0 111.085 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.723 HE22 ' HG ' ' A' ' 54' ' ' SER . 26.7 mt-30 52.32 100.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.0 0.92 . . . . 50.0 112.558 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.28 111.79 29.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.673 -0.694 . . . . 75.0 109.768 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.7 m -119.81 139.5 52.24 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.67 -0.695 . . . . 50.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.751 -0.642 . . . . 50.0 110.74 -179.755 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 N--CA 1.489 1.229 0 N-CA-C 111.747 -0.136 . . . . 25.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -113.66 -46.42 3.04 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.307 0.379 . . . . 25.0 111.306 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.691 ' CD2' HG23 ' A' ' 103' ' ' THR . 62.0 m170 67.43 -18.2 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.358 1.063 . . . . 75.0 113.72 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.5 p -141.12 149.1 41.12 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.815 0.341 . . . . 75.0 111.436 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.24 -118.64 0.63 Allowed Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.409 -0.814 . . . . 75.0 112.084 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.69 126.88 12.95 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.741 0.416 . . . . 25.0 110.168 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.16 151.51 40.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -110.52 138.9 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 115.72 -0.673 . . . . 75.0 109.405 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -142.29 116.77 9.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.917 -0.583 . . . . 75.0 109.697 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 62.94 42.19 7.8 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.888 0.875 . . . . 75.0 111.967 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' HG2' ' OD2' ' B' ' 531' ' ' ASP . 76.1 mmtt 69.28 -7.46 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.638 1.175 . . . . 75.0 113.88 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG11 ' HD2' ' A' ' 36' ' ' LYS . 94.4 t -93.84 116.39 34.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 173.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -78.45 141.03 38.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.916 -0.583 . . . . 75.0 111.404 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.3 -157.9 8.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.102 -0.954 . . . . 75.0 112.994 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.66 138.64 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.132 -0.534 . . . . 75.0 109.666 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.83 139.13 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.052 -0.522 . . . . 75.0 110.445 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 145.88 45.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.999 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 97.2 mt -103.51 139.15 25.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.307 0.575 . . . . 75.0 110.058 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.5 t30 -106.57 99.38 8.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.597 -1.183 . . . . 50.0 110.399 -175.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' OE2' HD12 ' A' ' 107' ' ' ILE . 71.2 mt-10 -121.83 167.25 13.23 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.793 -0.447 . . . . 75.0 109.793 176.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.86 1.61 4.08 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.0 0.92 . . . . 50.0 110.438 -170.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.48 -173.18 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 114.592 -1.185 . . . . 50.0 110.066 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.47 163.05 70.98 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 106.074 -1.824 . . . . 75.0 106.074 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -42.38 130.01 4.87 Favored 'Trans proline' 0 C--N 1.374 1.886 0 CA-C-N 122.188 1.817 . . . . 50.0 113.133 -143.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -49.09 138.07 12.53 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.346 -1.297 . . . . 25.0 112.863 -164.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -132.35 137.15 47.29 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.116 -0.947 . . . . 75.0 112.872 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD21 HD11 ' A' ' 62' ' ' LEU . 27.5 tp -95.2 110.53 22.49 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.497 -0.927 . . . . 75.0 108.497 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.6 m -104.05 107.84 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 113.977 -1.465 . . . . 25.0 110.724 -171.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.503 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 83.0 t90 -84.43 134.76 34.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.779 -0.646 . . . . 50.0 109.309 171.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.99 148.72 50.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.505 -0.771 . . . . 75.0 109.639 173.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.663 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 88.1 p -68.49 158.65 33.34 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.437 -0.579 . . . . 50.0 109.437 173.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -53.16 -20.08 3.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.531 0.938 . . . . 25.0 113.531 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -101.19 -31.55 10.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.448 0.468 . . . . 75.0 110.821 171.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.98 17.18 33.22 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.605 -0.725 . . . . 75.0 113.032 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -75.78 -28.21 58.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.648 0.379 . . . . 75.0 110.051 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.663 ' H ' ' HG ' ' A' ' 31' ' ' SER . 56.7 mttp -106.49 137.21 44.89 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.622 -0.717 . . . . 75.0 109.342 173.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.03 132.93 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-O 120.776 0.322 . . . . 50.0 111.725 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.5 m-70 -125.92 149.38 48.76 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.647 -0.706 . . . . 50.0 109.554 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.29 142.24 50.89 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.865 0.364 . . . . 25.0 111.672 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 74.1 t -131.92 107.49 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-N 115.48 -0.782 . . . . 50.0 110.341 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.78 118.72 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.647 -0.871 . . . . 50.0 108.647 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 107' ' ' ILE . 71.3 mt -77.88 -18.07 56.61 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.346 0.869 . . . . 75.0 113.346 -171.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.8 -3.63 16.48 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.267 0.556 . . . . 50.0 110.542 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -115.27 1.95 13.91 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.921 -1.036 . . . . 25.0 110.292 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.9 mm -105.8 142.99 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 115.653 -0.703 . . . . 75.0 110.095 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -110.79 -46.94 3.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.853 -0.612 . . . . 75.0 111.79 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 15.8 mttp -131.2 166.83 20.29 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.44 0.533 . . . . 75.0 112.44 -176.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -148.02 130.17 15.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.027 -0.731 . . . . 50.0 109.027 178.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.729 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 98.2 mt-30 -131.43 114.79 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 111.742 0.275 . . . . 75.0 111.742 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HB1' HD13 ' A' ' 60' ' ' LEU . . . -116.24 152.01 34.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.778 0.659 . . . . 75.0 112.778 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.786 ' HG1' ' NH1' ' A' ' 94' ' ' ARG . 34.2 p -68.71 122.31 84.35 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.52 0.728 . . . . 75.0 111.735 -177.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.02 162.7 8.75 Favored 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.783 2.322 . . . . 75.0 113.075 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.42 -8.53 55.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.786 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -95.82 -18.18 20.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.754 -0.657 . . . . 50.0 111.117 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -72.94 137.9 45.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.832 -0.622 . . . . 50.0 112.124 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.623 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -62.42 -18.57 62.0 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.129 -0.941 . . . . 50.0 111.946 176.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HB3' ' HE1' ' A' ' 59' ' ' MET . 75.2 mmtt -94.48 155.73 16.8 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.581 -1.19 . . . . 75.0 112.998 -172.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' SER . 73.3 mtm -128.18 98.39 5.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.641 -1.163 . . . . 75.0 108.914 170.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.541 ' HE1' ' HB3' ' A' ' 57' ' ' LYS . 75.4 mtm -154.19 153.83 32.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.57 -0.741 . . . . 75.0 111.446 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD13 ' HB1' ' A' ' 50' ' ' ALA . 13.8 tp -136.39 118.4 15.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.272 -0.876 . . . . 50.0 108.871 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -106.13 146.58 30.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.113 0.482 . . . . 75.0 111.809 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 23.6 mt -128.01 104.81 8.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.964 -1.016 . . . . 50.0 110.289 -175.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.641 HG12 ' HG2' ' A' ' 86' ' ' ARG . 71.3 mt -85.33 136.25 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.874 -0.603 . . . . 50.0 109.922 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.08 139.36 14.44 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.135 -0.484 . . . . 50.0 113.551 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.12 135.48 49.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.781 0.833 . . . . 75.0 112.014 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.43 132.18 42.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.098 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -106.86 89.75 3.1 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.353 -0.84 . . . . 75.0 109.187 170.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -86.95 -2.07 58.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.971 -0.559 . . . . 75.0 112.366 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -75.28 -11.87 60.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.856 0.36 . . . . 50.0 111.602 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.05 37.98 1.27 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.553 -0.749 . . . . 75.0 110.856 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.2 117.85 1.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.097 0.959 . . . . 75.0 112.459 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -102.12 153.21 20.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.114 -0.948 . . . . 50.0 110.122 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.3 148.05 50.24 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.323 -0.399 . . . . 75.0 110.329 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -84.79 -174.79 5.47 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.55 -0.75 . . . . 75.0 111.19 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -55.74 -31.81 62.85 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.884 1.068 . . . . 50.0 113.884 -174.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -91.8 -20.18 21.77 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.833 0.308 . . . . 50.0 111.833 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.95 25.33 5.94 Favored Glycine 0 C--N 1.339 0.737 0 O-C-N 123.32 0.387 . . . . 50.0 113.09 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -89.91 145.24 25.27 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.542 0.337 . . . . 75.0 110.178 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.636 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -74.0 118.22 16.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.096 0.474 . . . . 75.0 111.302 -175.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.57 100.87 7.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.071 -0.968 . . . . 50.0 109.233 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -94.66 126.99 45.37 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 115.318 -0.856 . . . . 50.0 111.209 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.28 133.38 46.14 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.029 2.486 . . . . 75.0 113.713 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 97.9 mttt -95.44 163.1 22.39 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.553 -1.203 . . . . 75.0 111.903 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.2 Cg_endo -61.9 154.49 61.06 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.49 2.127 . . . . 75.0 114.071 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -91.99 163.29 14.05 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 114.822 -1.081 . . . . 75.0 109.579 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.641 ' HG2' HG12 ' A' ' 63' ' ' ILE . 93.3 mtm-85 -152.99 141.8 21.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.77 0.319 . . . . 75.0 110.354 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 16.0 m-70 -131.08 112.97 13.36 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.717 -0.674 . . . . 75.0 110.8 -175.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -100.38 143.19 30.85 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.956 0.408 . . . . 75.0 111.12 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.0 m-85 -136.3 127.8 28.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.311 -0.858 . . . . 50.0 109.615 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.1 m -83.89 145.66 28.48 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.844 0.354 . . . . 75.0 111.136 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.24 175.39 8.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.572 -0.74 . . . . 50.0 111.844 -173.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -121.53 -15.71 7.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.39 -0.823 . . . . 75.0 111.741 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -144.07 143.36 31.12 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.624 0.37 . . . . 75.0 111.253 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.786 ' NH1' ' HG1' ' A' ' 51' ' ' THR . 24.6 mmt180 -77.94 -18.97 55.45 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.475 -0.784 . . . . 75.0 112.712 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.21 -21.22 50.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 123.182 0.301 . . . . 25.0 111.213 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.07 -62.7 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.9 ptp -47.39 -41.12 19.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.93 -23.93 63.29 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 123.35 0.406 . . . . 50.0 111.749 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.05 -31.08 20.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.028 0.531 . . . . 75.0 111.88 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mm -74.4 -55.55 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -51.72 -41.67 61.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.14 0.976 . . . . 75.0 112.515 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.2 ttp -60.65 -57.65 11.79 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.15 0.281 . . . . 75.0 111.061 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.691 HG23 ' CD2' ' A' ' 3' ' ' HIS . 41.3 m -50.13 -58.39 5.66 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.397 0.436 . . . . 25.0 109.855 176.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 HD12 HD12 ' A' ' 42' ' ' LEU . 4.2 mp -43.98 -59.07 2.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.1 0.96 . . . . 50.0 111.062 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -56.45 -29.59 61.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.751 -0.658 . . . . 75.0 112.686 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.88 -20.61 52.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.665 0.386 . . . . 75.0 111.229 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.528 HG21 HD11 ' A' ' 42' ' ' LEU . 85.6 mt -85.25 -42.72 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.558 0.743 . . . . 75.0 111.571 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.59 -33.33 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.658 0.383 . . . . 50.0 111.341 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -65.65 -17.97 64.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.749 0.655 . . . . 50.0 111.442 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -79.44 -42.96 24.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.785 0.434 . . . . 50.0 110.721 173.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.1 -5.14 57.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.747 -0.66 . . . . 50.0 111.162 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -85.23 -31.43 23.16 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.495 -0.775 . . . . 50.0 109.998 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -96.65 -22.91 16.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.285 -0.871 . . . . 50.0 111.162 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.59 73.66 1.51 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.665 0.745 . . . . 25.0 110.951 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 63.3 t0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.907 -1.044 . . . . 50.0 110.433 177.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.534 -0.226 . . . . 25.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.4 t -109.47 125.69 30.82 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.32 0.248 . . . . 50.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.56 -21.52 16.84 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.452 2.101 . . . . 75.0 113.872 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 128.26 -29.01 4.18 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 123.47 0.481 . . . . 50.0 112.966 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 59.14 88.64 0.12 Allowed Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 123.971 0.908 . . . . 75.0 111.952 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -69.69 -40.05 5.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.592 2.195 . . . . 75.0 113.109 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -130.6 133.72 46.4 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.26 121.82 3.65 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.806 -0.634 . . . . 50.0 112.318 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt 60.69 113.64 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.15 0.98 . . . . 75.0 111.205 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 85.3 mt -126.34 -2.27 6.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.655 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 46.5 t -154.68 -63.73 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.38 -0.827 . . . . 50.0 110.358 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.16 89.05 0.81 Allowed Glycine 0 C--N 1.345 1.06 0 C-N-CA 121.416 -0.421 . . . . 50.0 112.452 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . 0.576 ' OD2' ' HG2' ' A' ' 11' ' ' LYS . 23.6 t0 -125.13 -7.35 7.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.732 0.301 . . . . 50.0 110.988 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -106.08 -8.03 17.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.925 -0.58 . . . . 75.0 111.837 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -116.88 -26.24 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.948 -1.024 . . . . 75.0 111.094 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -94.13 -2.5 52.59 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.0 p -82.36 -3.87 56.26 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.68 0.276 . . . . 75.0 111.52 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 93.5 p -84.58 -33.77 23.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.933 -0.576 . . . . 75.0 110.43 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 27.2 pt -91.26 -20.82 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.612 -0.722 . . . . 75.0 110.707 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.18 17.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.359 0.599 . . . . 50.0 111.607 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -89.09 -26.79 21.18 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.84 -1.073 . . . . 75.0 108.827 170.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.5 mmm -76.44 -21.66 55.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.021 -0.99 . . . . 50.0 110.713 170.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.04 -35.41 69.33 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.287 -0.87 . . . . 50.0 112.427 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.729 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 10.2 t80 -84.43 -19.35 33.58 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.882 0.697 . . . . 75.0 112.882 -174.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -76.15 -16.77 59.81 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.99 0.367 . . . . 50.0 111.99 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.46 -22.29 20.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.22 -31.85 21.5 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.58 0.585 . . . . 75.0 112.58 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 35.2 tp -90.18 -15.35 31.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.868 0.366 . . . . 50.0 110.967 -176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 87.8 p -106.76 42.7 1.25 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.398 -0.819 . . . . 75.0 110.601 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.93 4.23 34.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.819 -0.628 . . . . 75.0 112.445 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 72.0 mt -101.77 114.73 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.823 0.344 . . . . 50.0 111.334 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 74.9 m -124.27 140.88 52.53 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.717 -0.674 . . . . 50.0 111.035 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.773 -0.632 . . . . 50.0 110.943 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.482 0.832 0 N-CA-C 111.388 -0.274 . . . . 25.0 111.388 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -137.09 123.12 20.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.783 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 55.4 m170 -87.13 -2.44 58.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.397 -0.819 . . . . 75.0 111.019 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 53.9 p -147.3 151.02 35.91 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.108 -0.496 . . . . 75.0 111.728 -176.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.17 -113.29 0.34 Allowed Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.16 -0.927 . . . . 75.0 111.843 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.94 129.63 12.31 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 122.645 0.378 . . . . 25.0 110.43 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.06 153.63 40.94 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.768 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.0 mt -112.36 139.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 115.59 -0.732 . . . . 75.0 109.324 175.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -143.24 119.84 11.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.869 -0.605 . . . . 75.0 109.542 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 61.5 41.67 12.3 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.761 0.824 . . . . 75.0 112.04 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.17 -7.42 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.588 1.155 . . . . 75.0 113.698 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.7 t -95.4 120.14 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -81.83 139.78 34.55 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.835 -0.62 . . . . 50.0 111.66 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.56 -156.42 7.85 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.232 -0.895 . . . . 75.0 113.109 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.87 139.76 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.071 -0.564 . . . . 75.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.95 136.77 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.557 -178.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 146.34 45.43 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.2 -0.455 . . . . 25.0 111.093 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 91.3 mt -105.02 131.85 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.307 0.575 . . . . 75.0 110.552 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.5 105.07 17.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.505 -1.225 . . . . 50.0 111.196 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 52.0 mt-10 -123.1 167.73 13.29 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.985 -0.746 . . . . 75.0 108.985 173.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 61.1 m-20 73.94 1.95 4.05 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 123.882 0.873 . . . . 50.0 110.494 -172.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -103.21 -172.25 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.075 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.6 164.75 58.79 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 106.078 -1.823 . . . . 75.0 106.078 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.47 129.22 3.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 CA-C-N 122.29 1.854 . . . . 50.0 113.182 -142.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.7 21.56 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.401 -1.272 . . . . 25.0 113.092 -164.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.55 171.46 10.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 113.703 -1.59 . . . . 75.0 110.771 -168.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 16' ' ' ILE . 22.2 tp -123.03 122.43 38.48 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.654 -0.869 . . . . 75.0 108.654 167.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.55 108.42 16.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.671 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.4 t90 -84.75 134.33 34.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.615 -0.721 . . . . 50.0 109.433 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' NH2' ' HA3' ' A' ' 34' ' ' GLY . 56.8 mtp180 -125.22 152.08 45.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.371 -0.831 . . . . 75.0 109.643 172.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.715 ' HG ' ' H ' ' A' ' 36' ' ' LYS . 95.7 p -69.19 161.01 30.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.995 -0.526 . . . . 50.0 109.8 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -51.6 -28.72 14.98 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -96.45 -27.2 15.01 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.359 -0.382 . . . . 75.0 111.048 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA3' ' NH2' ' A' ' 30' ' ' ARG . . . 94.09 17.2 41.3 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.804 -0.634 . . . . 75.0 113.193 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -74.32 -29.55 61.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 122.76 0.424 . . . . 50.0 110.789 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.715 ' H ' ' HG ' ' A' ' 31' ' ' SER . 34.9 mttp -106.44 139.02 41.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.573 -0.74 . . . . 75.0 109.309 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -148.86 129.42 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 120.805 0.335 . . . . 50.0 111.743 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 95.8 m-70 -123.4 147.57 46.98 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.701 -0.681 . . . . 50.0 109.778 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -129.3 142.04 50.94 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.111 0.482 . . . . 25.0 111.707 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 62' ' ' LEU . 40.0 t -129.22 107.69 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 114.999 -1.0 . . . . 50.0 109.529 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.21 121.36 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.565 -0.902 . . . . 50.0 108.565 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.75 -22.08 58.99 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.73 1.011 . . . . 75.0 113.73 -172.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.7 p -66.06 -12.16 53.53 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.859 0.361 . . . . 50.0 111.3 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.38 16.21 16.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.521 -0.763 . . . . 25.0 110.827 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mm -110.6 139.35 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 115.561 -0.745 . . . . 75.0 109.127 175.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -106.36 -48.44 3.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.568 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB2' HD11 ' A' ' 63' ' ' ILE . 96.8 mttt -133.52 176.47 8.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.295 0.569 . . . . 75.0 112.047 -179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 127.08 10.44 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.768 -1.106 . . . . 50.0 108.504 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -124.3 116.48 22.7 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.507 0.194 . . . . 75.0 110.828 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.48 148.77 32.44 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.319 -0.4 . . . . 50.0 112.056 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' CZ ' ' B' ' 542' ' ' PHE . 55.1 p -68.47 121.32 80.27 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.97 -0.559 . . . . 50.0 111.431 -178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -54.95 163.08 4.46 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.849 2.366 . . . . 75.0 113.363 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.71 60.16 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.969 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 p -95.45 -17.21 21.69 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.797 -0.638 . . . . 50.0 111.144 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -71.47 139.66 49.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.859 -0.61 . . . . 50.0 112.46 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.1 mp0 -57.49 -23.17 48.47 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.713 -1.131 . . . . 50.0 112.36 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' HE3' ' HB3' ' B' ' 541' ' ' ASP . 65.4 mttm -96.75 152.94 18.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.515 -169.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.409 ' C ' ' HG3' ' A' ' 59' ' ' MET . 75.7 mtm -124.53 98.31 5.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.492 -1.231 . . . . 75.0 109.02 169.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.445 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 68.8 mtp -155.47 157.14 36.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.518 -0.765 . . . . 75.0 111.337 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.12 118.47 14.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.309 -0.859 . . . . 50.0 108.996 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -101.45 146.36 27.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.165 0.507 . . . . 75.0 111.882 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 40' ' ' VAL . 91.6 mt -128.2 107.92 10.19 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.031 -0.986 . . . . 50.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.502 HG12 ' HG2' ' A' ' 86' ' ' ARG . 97.8 mt -90.55 140.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.211 -0.45 . . . . 50.0 109.799 -174.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.74 157.24 22.85 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 116.153 -0.476 . . . . 50.0 114.104 -173.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -83.79 111.9 19.61 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.325 0.583 . . . . 75.0 112.047 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 84' ' ' PRO . 69.5 t -123.08 143.84 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.833 -1.076 . . . . 50.0 111.453 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -102.68 108.09 19.23 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.823 -1.081 . . . . 75.0 108.531 173.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.47 -1.94 58.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.096 0.776 . . . . 75.0 113.096 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -82.29 2.46 31.97 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.869 0.366 . . . . 50.0 111.607 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.94 33.19 2.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.858 -0.61 . . . . 75.0 110.931 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -46.0 116.62 1.27 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.799 0.84 . . . . 75.0 112.037 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -102.08 154.98 18.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.333 -0.849 . . . . 75.0 110.698 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.14 143.84 50.98 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.115 -0.493 . . . . 75.0 110.036 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -85.02 -169.14 2.51 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 50.0 111.792 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.84 -31.43 64.76 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.471 0.915 . . . . 75.0 113.471 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.05 -22.28 20.83 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.129 0.418 . . . . 50.0 112.129 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.35 22.69 8.04 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 121.473 -0.394 . . . . 50.0 113.2 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -92.02 146.0 24.09 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.027 -0.36 . . . . 75.0 110.027 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.1 pm0 -72.82 113.26 9.65 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.43 . . . . 75.0 111.322 -175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.44 100.79 11.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.246 -0.888 . . . . 50.0 109.078 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 58.2 t -94.35 122.48 61.17 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 115.376 -0.829 . . . . 50.0 111.469 -172.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 50.8 Cg_exo -64.63 124.34 13.09 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.041 2.494 . . . . 75.0 112.926 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.17 151.86 38.46 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 114.747 -1.115 . . . . 75.0 112.54 -175.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -73.85 148.21 40.56 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.336 2.024 . . . . 75.0 113.676 175.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -92.31 133.87 35.44 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.709 -1.132 . . . . 75.0 110.988 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HG2' HG12 ' A' ' 63' ' ' ILE . 81.7 mtm-85 -117.08 114.52 23.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.648 -0.705 . . . . 75.0 109.862 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.3 m-70 -97.03 112.72 24.35 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.052 -0.522 . . . . 75.0 110.682 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.1 mtm -101.68 142.38 33.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.927 -0.579 . . . . 75.0 110.948 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -134.61 129.32 34.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.503 -0.771 . . . . 50.0 109.78 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.768 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.88 143.65 29.74 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.93 0.395 . . . . 75.0 111.297 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -127.57 175.73 8.03 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.379 -0.828 . . . . 50.0 111.659 -173.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.86 -17.06 6.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.814 -0.63 . . . . 75.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.43 130.22 16.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.469 0.308 . . . . 75.0 110.571 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.642 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.0 mpt_? -62.26 -18.0 60.0 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.248 0.833 . . . . 75.0 113.248 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.4 p -76.71 -25.04 53.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.474 0.31 . . . . 25.0 111.524 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.57 -62.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.642 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 13.3 ptp -47.19 -30.07 2.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.205 1.002 . . . . 50.0 113.524 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.53 -35.23 46.51 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.034 0.209 . . . . 50.0 111.216 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.5 -31.01 57.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.007 0.523 . . . . 75.0 112.177 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -72.45 -53.4 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 172.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.84 -42.53 62.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.997 0.919 . . . . 75.0 112.111 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 ttp -55.14 -52.17 64.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.305 0.642 . . . . 75.0 111.639 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.5 m -60.65 -57.15 13.94 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.242 0.339 . . . . 25.0 110.157 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -43.78 -58.22 2.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.031 0.932 . . . . 50.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -50.7 -32.67 20.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.389 1.076 . . . . 75.0 113.288 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.65 -20.29 36.57 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.144 -0.48 . . . . 75.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -83.45 -44.98 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.5 0.72 . . . . 75.0 111.967 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.18 -40.16 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 117.812 0.278 . . . . 50.0 111.203 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.7 p -70.36 -14.69 62.68 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.753 0.649 . . . . 50.0 112.753 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -69.0 -32.53 72.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.796 -0.446 . . . . 75.0 109.796 166.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.81 -4.05 55.37 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.268 -0.878 . . . . 50.0 112.052 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 92.0 mttt -83.43 -34.73 25.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.842 0.457 . . . . 75.0 110.563 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -86.71 -36.36 18.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.329 -0.85 . . . . 50.0 111.31 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 52.36 83.22 0.06 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.959 0.904 . . . . 25.0 112.509 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.0 t0 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.781 1.232 . . . . 50.0 112.754 -179.301 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.424 -0.27 . . . . 25.0 112.424 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 36.6 t -101.44 109.11 58.09 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 122.364 0.266 . . . . 50.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -59.56 141.68 97.63 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.803 2.336 . . . . 50.0 113.463 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 126.71 78.78 0.29 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.79 -0.641 . . . . 50.0 112.426 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -115.25 111.61 44.48 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-O 119.507 -0.282 . . . . 50.0 110.884 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.07 144.56 92.88 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.488 2.125 . . . . 75.0 113.059 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -111.93 136.02 51.8 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.463 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -132.68 -50.37 0.09 OUTLIER Glycine 0 C--N 1.338 0.658 0 CA-C-N 115.786 -0.643 . . . . 50.0 112.608 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.0 mt -107.23 122.91 47.48 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.991 0.424 . . . . 50.0 110.451 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 83.8 mt -124.91 -23.2 4.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.421 -0.809 . . . . 75.0 110.393 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 32.2 t -151.58 63.12 0.87 Allowed 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.097 -0.956 . . . . 50.0 109.48 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.99 -94.96 2.3 Favored Glycine 0 C--N 1.339 0.732 0 CA-C-N 115.559 -0.746 . . . . 75.0 112.847 -176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -133.51 -19.78 2.11 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.72 0.295 . . . . 75.0 111.782 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -99.95 15.75 26.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.603 -0.726 . . . . 75.0 111.987 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -70.78 8.16 0.95 Allowed 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.123 -0.944 . . . . 75.0 112.944 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -98.78 -42.1 7.36 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 535' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 86.5 p -101.29 -3.81 28.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.988 -0.551 . . . . 75.0 111.518 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 70.8 m -89.14 -30.99 18.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.432 -0.349 . . . . 50.0 110.745 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.0 mt -85.28 -27.81 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.085 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.67 7.6 29.28 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.804 -0.635 . . . . 75.0 110.763 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' B' ' 535' ' ' SER . 36.7 t70 -90.44 -30.82 17.11 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.646 -1.161 . . . . 75.0 109.205 171.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.3 mmm -73.03 -19.84 61.11 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.334 -0.848 . . . . 50.0 111.12 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.502 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 91.5 m-20 -78.36 -35.03 47.94 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.303 -0.862 . . . . 50.0 112.227 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.45 ' CZ ' HG23 ' A' ' 51' ' ' THR . 0.2 OUTLIER -84.98 -26.58 27.04 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.033 0.753 . . . . 75.0 113.033 -172.067 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -78.82 -18.27 54.33 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.26 -13.56 32.48 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 81.9 mt -86.96 -33.64 19.59 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.772 0.656 . . . . 50.0 112.772 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.71 -25.36 33.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.915 0.388 . . . . 75.0 111.131 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' SER . . . . . 0.527 ' HG ' ' H ' ' B' ' 548' ' ' GLN . 80.3 p -95.5 -52.2 4.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.339 -0.846 . . . . 75.0 111.019 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.527 ' H ' ' HG ' ' B' ' 547' ' ' SER . 38.8 mt-30 51.21 93.15 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.027 0.931 . . . . 50.0 113.034 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 mt 58.11 78.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.886 0.874 . . . . 50.0 111.081 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 30.1 t 61.08 -73.45 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.418 1.087 . . . . 50.0 112.792 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.031 -0.985 . . . . 50.0 110.528 -179.618 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 N-CA-C 111.86 -0.092 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 4' ' ' SER . 29.5 t -116.77 -61.97 1.65 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.218 0.323 . . . . 25.0 111.375 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.66 ' CD2' HG23 ' A' ' 103' ' ' THR . 66.5 m170 67.52 -29.73 0.15 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.416 1.086 . . . . 75.0 113.272 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -131.77 144.79 51.2 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.9 0.381 . . . . 75.0 111.702 -176.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.25 -117.46 0.73 Allowed Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.194 -0.912 . . . . 75.0 111.766 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.56 127.57 14.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.579 0.352 . . . . 25.0 110.315 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.9 155.11 43.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.788 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 67.1 mt -113.7 140.04 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.181 -0.674 . . . . 75.0 109.181 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -143.84 116.91 8.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.085 -0.507 . . . . 75.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 63.55 42.88 6.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.895 0.878 . . . . 75.0 112.019 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 70.84 -8.42 0.95 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.691 1.196 . . . . 75.0 113.747 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.599 HG22 ' HE2' ' A' ' 36' ' ' LYS . 72.1 t -93.6 121.99 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.158 -0.682 . . . . 50.0 109.158 173.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -82.1 138.12 34.86 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.944 -0.571 . . . . 50.0 111.326 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -153.14 -157.93 8.29 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.179 -0.919 . . . . 75.0 113.261 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.4 mt -127.03 136.59 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 114.949 -0.625 . . . . 75.0 109.457 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.3 tt -100.68 136.02 34.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 116.242 -0.435 . . . . 75.0 110.636 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.23 138.57 40.27 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.554 0.534 . . . . 25.0 111.248 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.5 mt -96.2 131.65 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.08 0.466 . . . . 75.0 110.246 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.484 ' ND2' ' HG1' ' A' ' 28' ' ' THR . 75.7 m-20 -98.98 104.79 16.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.877 -1.056 . . . . 50.0 111.195 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' OE2' HD13 ' A' ' 107' ' ' ILE . 66.5 mt-10 -121.91 167.91 12.51 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.016 -0.735 . . . . 75.0 109.016 173.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 73.42 2.14 4.2 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.907 0.883 . . . . 50.0 110.513 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.0 -172.43 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 114.674 -1.148 . . . . 50.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.8 164.35 61.8 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 105.295 -2.113 . . . . 50.0 105.295 171.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -41.58 129.65 3.71 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 122.623 1.972 . . . . 50.0 113.512 -141.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.94 139.58 22.05 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.288 -1.324 . . . . 25.0 113.069 -165.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -124.92 172.1 9.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.683 -1.598 . . . . 75.0 111.244 -167.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.629 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 40.6 tp -127.4 109.29 11.62 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.288 -1.005 . . . . 75.0 108.288 174.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.484 ' HG1' ' ND2' ' A' ' 19' ' ' ASN . 97.0 m -107.02 110.99 23.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.313 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.1 t90 -85.45 137.35 32.97 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.709 -0.678 . . . . 50.0 109.318 168.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm180 -130.95 160.01 35.78 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.956 -1.02 . . . . 50.0 109.263 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.606 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 93.7 p -77.84 164.29 25.31 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.773 -0.454 . . . . 50.0 109.773 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.69 -31.75 58.39 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.505 0.558 . . . . 25.0 112.505 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.94 -31.26 12.64 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.255 -0.43 . . . . 75.0 110.439 171.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.58 18.16 13.51 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.472 -0.785 . . . . 75.0 113.798 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.9 p-10 -69.99 -25.11 63.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.819 0.448 . . . . 50.0 111.302 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 17.5 mttp -112.96 139.93 48.2 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.789 -0.641 . . . . 75.0 109.447 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG22 ' C ' ' A' ' 36' ' ' LYS . 95.1 t -148.85 128.41 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.697 0.284 . . . . 50.0 110.977 -175.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.598 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.6 m-70 -125.95 145.02 50.45 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.908 -0.587 . . . . 50.0 109.538 177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.3 128.57 43.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.965 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 58.7 t -112.96 107.62 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.206 -0.907 . . . . 50.0 110.088 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.92 120.87 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.697 -0.853 . . . . 50.0 108.697 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.53 -22.97 59.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.959 1.096 . . . . 75.0 113.959 -170.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.8 p -67.46 -2.69 6.79 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.096 0.474 . . . . 75.0 110.906 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.21 3.83 14.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.208 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.96 143.22 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.458 -0.792 . . . . 75.0 109.784 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -112.39 -43.26 3.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.86 -0.609 . . . . 50.0 111.326 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.597 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.9 mttt -133.19 169.83 16.31 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.783 0.661 . . . . 50.0 112.783 -176.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.59 132.63 15.25 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.399 -0.819 . . . . 50.0 108.885 178.114 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -134.82 120.62 19.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.55 0.159 . . . . 75.0 110.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.04 147.52 37.06 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.175 0.435 . . . . 75.0 112.175 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' B' ' 542' ' ' PHE . 37.3 p -63.34 122.53 76.38 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.345 0.658 . . . . 75.0 111.661 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.44 164.57 5.33 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.774 2.316 . . . . 75.0 113.355 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HB3' ' CD ' ' A' ' 94' ' ' ARG . . . -74.35 -9.61 58.77 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.954 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -96.79 -9.64 28.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.942 -0.572 . . . . 50.0 110.72 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 137.96 37.54 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 116.025 -0.534 . . . . 50.0 112.295 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.676 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -61.25 -26.13 67.55 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.936 -1.029 . . . . 75.0 111.878 175.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -86.49 142.54 28.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.128 -1.396 . . . . 75.0 112.433 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.415 ' C ' ' HG3' ' A' ' 59' ' ' MET . 97.6 mmm -116.18 96.85 5.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.577 -0.738 . . . . 75.0 109.054 169.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.437 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.8 mtt -155.57 156.05 34.42 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 115.836 -0.62 . . . . 50.0 112.202 -173.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' PHE . 12.9 tp -133.13 119.83 20.45 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.959 -1.019 . . . . 50.0 109.219 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -101.31 145.01 29.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.156 0.503 . . . . 75.0 111.865 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -126.82 106.31 9.25 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.998 -1.001 . . . . 50.0 110.014 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.597 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 46.4 mt -85.83 128.76 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.526 -0.761 . . . . 50.0 110.028 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.02 37.72 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.738 -0.664 . . . . 50.0 113.816 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -87.95 111.21 21.22 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.679 0.752 . . . . 75.0 112.802 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.73 148.94 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.159 -1.382 . . . . 50.0 110.028 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -87.99 100.29 12.8 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.665 -0.698 . . . . 75.0 110.179 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.08 -2.27 57.8 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.618 -0.719 . . . . 75.0 112.068 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -81.84 -21.24 37.69 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.559 0.344 . . . . 50.0 111.748 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -84.59 129.41 34.85 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.097 0.475 . . . . 75.0 111.181 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -96.39 122.28 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.219 -0.9 . . . . 75.0 111.873 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 68.2 ttp85 -110.11 142.27 41.82 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.986 -0.746 . . . . 50.0 108.986 171.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.59 144.39 50.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.808 0.337 . . . . 75.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -82.58 -170.11 2.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.627 -0.715 . . . . 50.0 111.769 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -57.34 -31.5 65.77 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.42 0.896 . . . . 75.0 113.42 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -89.9 -23.21 21.67 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.953 0.353 . . . . 50.0 111.953 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.96 17.4 13.06 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 121.51 -0.376 . . . . 50.0 113.379 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -87.21 147.24 25.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.056 -0.35 . . . . 75.0 110.056 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' HG22 ' A' ' 81' ' ' VAL . 88.1 tt0 -71.26 119.55 15.55 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.991 0.424 . . . . 50.0 111.367 -174.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 37.3 t -123.62 99.5 6.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.082 -0.963 . . . . 50.0 108.869 172.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 79' ' ' GLU . 91.9 t -90.29 125.14 61.06 Favored Pre-proline 0 CA--C 1.551 1.002 0 CA-C-N 115.535 -0.757 . . . . 50.0 110.591 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.76 129.98 36.28 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.077 2.518 . . . . 75.0 113.869 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.23 141.09 22.76 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 114.831 -1.077 . . . . 75.0 112.469 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.1 152.85 80.22 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.373 2.049 . . . . 75.0 113.752 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -91.69 136.28 33.26 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.264 -0.88 . . . . 75.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG2' HG12 ' A' ' 63' ' ' ILE . 80.9 mtt85 -117.7 120.23 37.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.877 -0.601 . . . . 75.0 110.617 -172.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m-70 -97.23 113.26 24.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.092 -0.504 . . . . 75.0 110.934 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -101.69 140.87 35.39 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.998 0.428 . . . . 75.0 111.499 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.2 m-85 -129.56 130.22 45.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.219 -0.901 . . . . 50.0 109.412 176.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.788 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 41.6 t -88.8 140.79 29.09 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.275 0.56 . . . . 75.0 111.784 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -124.15 176.29 6.49 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.018 -0.992 . . . . 50.0 111.891 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -122.26 -16.33 7.44 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.964 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.633 ' ND2' ' HG1' ' A' ' 95' ' ' THR . 51.0 t-20 -141.02 143.77 34.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.692 0.397 . . . . 75.0 111.034 -178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.615 ' CD ' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -80.68 -22.31 40.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.834 0.679 . . . . 75.0 112.834 -177.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.633 ' HG1' ' ND2' ' A' ' 93' ' ' ASN . 62.2 p -78.15 -19.47 53.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 123.067 0.229 . . . . 25.0 111.187 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.17 -62.56 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.965 -0.754 . . . . 50.0 108.965 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -39.26 21.85 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.087 0.555 . . . . 50.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.32 -22.04 61.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.682 -0.69 . . . . 75.0 112.748 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.05 -37.9 15.91 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.838 0.455 . . . . 75.0 112.124 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.72 -54.08 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 109.247 -0.649 . . . . 50.0 109.247 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -52.71 -42.87 65.25 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.795 0.838 . . . . 75.0 111.854 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.7 ttm -52.29 -53.44 44.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.195 0.598 . . . . 75.0 111.794 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.66 HG23 ' CD2' ' A' ' 3' ' ' HIS . 83.6 m -60.15 -57.58 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 176.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.543 HD21 HD12 ' A' ' 27' ' ' LEU . 96.0 mt -43.73 -58.36 2.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.097 0.959 . . . . 50.0 110.958 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -50.96 -31.04 16.59 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.253 1.021 . . . . 75.0 113.315 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.77 -20.38 33.42 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.044 -0.526 . . . . 75.0 111.043 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.471 HD13 ' OE2' ' A' ' 20' ' ' GLU . 96.6 mt -82.37 -43.82 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 C-N-CA 123.403 0.681 . . . . 75.0 111.666 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.95 -35.56 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 122.247 0.219 . . . . 50.0 111.131 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -63.7 -18.82 64.39 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.611 0.57 . . . . 75.0 111.888 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -78.07 -42.02 33.54 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.152 -0.476 . . . . 50.0 110.725 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -81.44 -3.52 53.17 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.328 -0.851 . . . . 75.0 111.591 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -89.79 -29.34 18.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.351 -0.84 . . . . 50.0 110.363 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -88.79 -34.73 16.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.529 -0.759 . . . . 50.0 111.243 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.59 88.67 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.026 0.93 . . . . 25.0 112.511 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.3 t0 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.924 -1.035 . . . . 50.0 111.311 179.383 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.498 -0.241 . . . . 25.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 39.9 t -111.18 124.72 32.1 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 122.332 0.253 . . . . 50.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -74.13 -24.54 14.69 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.386 2.057 . . . . 75.0 113.842 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 121.37 -67.65 0.44 Allowed Glycine 0 C--N 1.34 0.782 0 O-C-N 123.372 0.42 . . . . 50.0 112.662 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -115.52 117.68 40.22 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 119.47 -0.3 . . . . 50.0 110.342 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.8 143.16 99.33 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.565 2.177 . . . . 75.0 113.121 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 49.8 t30 62.94 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.061 0.944 . . . . 50.0 111.484 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -178.14 79.06 0.07 OUTLIER Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.757 -0.656 . . . . 50.0 112.635 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.69 30.23 7.3 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.921 0.391 . . . . 75.0 111.771 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.68 0.72 22.33 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.14 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 73.1 p -144.38 -53.62 0.33 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.694 -0.684 . . . . 50.0 110.266 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.69 -44.0 1.58 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.122 -0.49 . . . . 75.0 113.915 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -125.59 -2.25 7.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.902 0.351 . . . . 75.0 111.925 -176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -117.08 12.83 14.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.263 0.554 . . . . 75.0 111.778 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -86.49 -23.03 26.1 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.192 -0.913 . . . . 75.0 111.984 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -92.97 -14.53 27.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.491 0.552 . . . . 75.0 112.491 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 535' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 88.9 p -88.78 -3.11 58.85 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.282 0.364 . . . . 50.0 111.682 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.9 p -87.6 -33.99 18.67 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.851 175.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 32.8 mm -90.24 -27.32 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.837 -0.62 . . . . 50.0 110.445 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -85.29 8.68 17.69 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.299 0.571 . . . . 50.0 111.042 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' B' ' 535' ' ' SER . 37.7 t70 -97.42 -32.16 11.99 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.021 -0.991 . . . . 75.0 109.65 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.8 mtp -73.29 -17.51 61.31 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.823 -0.626 . . . . 50.0 110.92 170.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 74.1 m-20 -73.46 -33.12 64.71 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.803 -1.09 . . . . 50.0 112.448 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 51' ' ' THR . 1.3 m-85 -79.65 -23.04 42.81 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.35 0.87 . . . . 75.0 113.35 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -83.12 -17.59 42.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.888 0.329 . . . . 50.0 111.888 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.36 -20.0 22.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.31 -0.404 . . . . 25.0 111.664 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 91.2 mt -83.92 -35.68 23.87 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.578 0.584 . . . . 75.0 112.578 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 24.8 tp -83.41 -26.01 30.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.952 0.406 . . . . 75.0 110.579 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 78.3 p -99.42 42.87 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.143 -0.935 . . . . 50.0 111.046 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -84.15 -5.64 59.28 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.76 -0.655 . . . . 75.0 111.993 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 97.1 mt -99.4 120.74 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 123.55 0.74 . . . . 75.0 110.238 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 68.7 m -106.75 -42.06 5.06 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.748 -0.66 . . . . 50.0 111.364 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.984 -1.008 . . . . 50.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.547 ' HA ' ' OD1' ' A' ' 99' ' ' ASN . 70.9 Cg_exo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 111.215 -0.341 . . . . 25.0 111.215 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -134.7 134.66 41.31 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.364 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.465 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 66.6 m170 -87.36 -2.47 58.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.679 -0.691 . . . . 75.0 111.575 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -147.26 147.59 30.58 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.073 0.463 . . . . 50.0 111.209 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.05 -122.37 0.91 Allowed Glycine 0 C--N 1.333 0.362 0 CA-C-N 115.098 -0.955 . . . . 75.0 111.958 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.46 122.4 10.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.555 0.342 . . . . 25.0 110.235 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 16' ' ' ILE . . . -140.0 154.33 47.1 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 75.0 mt -112.89 139.09 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.706 -0.679 . . . . 75.0 109.243 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -143.48 120.0 11.04 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.546 -0.539 . . . . 75.0 109.546 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 63.11 40.87 8.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.803 0.841 . . . . 75.0 111.969 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 69.64 -6.76 0.97 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.601 1.16 . . . . 75.0 113.828 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -93.82 122.49 45.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 173.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -82.49 136.25 34.93 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.39 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.22 -159.48 9.0 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.09 -0.959 . . . . 75.0 113.112 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.58 138.42 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.587 . . . . 75.0 109.444 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 HD11 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.46 140.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.543 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.82 145.93 45.05 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.453 0.471 . . . . 25.0 111.147 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 97.2 mt -104.88 139.98 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.327 0.585 . . . . 75.0 109.833 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 6.5 t30 -110.59 99.54 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.599 -1.182 . . . . 50.0 110.471 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.12 167.62 12.94 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.526 -0.546 . . . . 75.0 109.526 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.94 3.25 4.56 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.766 0.826 . . . . 50.0 111.641 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 m -102.32 -173.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.26 -1.336 . . . . 50.0 110.287 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -74.66 162.19 74.69 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 105.283 -2.117 . . . . 50.0 105.283 169.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -43.16 130.16 6.12 Favored 'Trans proline' 0 C--N 1.376 1.983 0 CA-C-N 122.475 1.92 . . . . 50.0 113.256 -141.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.48 138.88 9.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.075 -1.421 . . . . 25.0 112.927 -165.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.69 138.91 47.43 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.306 0.854 . . . . 75.0 113.306 -173.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 63.6 tp -96.75 104.98 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.722 -1.214 . . . . 75.0 107.722 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.7 m -104.04 109.51 21.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.013 -1.449 . . . . 25.0 111.199 -170.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.486 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 73.5 t90 -84.92 135.44 34.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 115.774 -0.648 . . . . 50.0 109.336 170.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -126.48 163.89 22.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.237 -0.892 . . . . 75.0 110.021 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.491 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.7 p -72.45 169.4 16.46 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.2 m -56.77 -28.55 61.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.508 0.594 . . . . 25.0 112.437 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -100.01 -28.97 12.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.477 170.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.96 18.78 21.44 Favored Glycine 0 C--N 1.342 0.892 0 CA-C-N 115.358 -0.837 . . . . 75.0 113.696 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.6 p-10 -68.76 -28.02 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.622 0.369 . . . . 75.0 110.651 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -110.16 141.92 42.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.874 -0.603 . . . . 75.0 109.409 174.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.31 135.5 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 N-CA-C 112.058 0.392 . . . . 50.0 112.058 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.9 m-70 -129.22 147.84 51.1 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.589 -0.732 . . . . 50.0 109.372 175.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.63 129.97 45.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.624 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 87.4 t -116.47 107.73 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.901 -0.59 . . . . 50.0 110.703 175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' O ' ' OG1' ' A' ' 44' ' ' THR . 90.0 t -80.2 122.31 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.423 -0.954 . . . . 50.0 108.423 173.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD11 HD23 ' A' ' 104' ' ' LEU . 1.2 mm? -79.45 -19.27 50.28 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.493 0.923 . . . . 75.0 113.493 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -70.01 -1.88 11.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.091 0.472 . . . . 50.0 110.483 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 41' ' ' VAL . 52.2 p -114.81 4.87 15.04 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.167 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -112.57 139.34 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.625 -0.716 . . . . 75.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.96 -44.39 4.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.848 -0.614 . . . . 50.0 111.541 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.68 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 65.3 mttp -131.81 166.96 20.39 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.408 0.522 . . . . 75.0 112.408 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' N ' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -148.46 125.56 11.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 178.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -130.18 122.91 29.06 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.318 0.104 . . . . 75.0 111.023 -176.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.36 155.13 27.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.613 0.598 . . . . 75.0 112.613 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 57' ' ' LYS . 34.0 p -65.32 119.52 60.1 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.63 0.772 . . . . 50.0 111.292 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.803 ' CD ' HD11 ' B' ' 545' ' ' LEU . 52.2 Cg_exo -50.0 166.01 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.209 0 C-N-CA 123.143 2.562 . . . . 75.0 113.674 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.6 -4.53 40.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.867 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -102.99 -17.93 15.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.843 -0.617 . . . . 50.0 111.568 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 t -64.54 144.13 57.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.224 0.61 . . . . 75.0 112.436 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.3 pm0 -65.36 -24.07 67.15 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.144 -0.935 . . . . 75.0 111.483 173.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.577 ' HB3' HG22 ' A' ' 51' ' ' THR . 7.8 mmtp -89.88 143.41 26.82 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.005 -1.452 . . . . 50.0 112.694 -174.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.4 mtm -116.23 96.26 5.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.1 -0.954 . . . . 75.0 108.805 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 12.8 mtt -155.79 162.78 40.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 50.0 112.174 -174.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 tp -142.06 120.0 12.01 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.162 -0.927 . . . . 50.0 109.535 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' HD2' ' HD2' ' A' ' 86' ' ' ARG . 53.0 ttp180 -100.44 146.83 26.55 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.979 0.419 . . . . 75.0 111.366 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -127.86 104.77 8.0 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.278 -0.874 . . . . 50.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 87.5 mt -85.55 137.78 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.907 -0.588 . . . . 50.0 109.601 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.31 163.0 21.8 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.975 -0.557 . . . . 50.0 113.945 -172.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -81.25 130.36 35.0 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.05 0.54 . . . . 75.0 110.782 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.2 t -92.4 136.61 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.765 -0.652 . . . . 50.0 111.62 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.5 85.83 2.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.913 -1.04 . . . . 75.0 109.156 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -86.41 -1.78 57.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.452 0.538 . . . . 75.0 112.452 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -76.66 0.02 21.82 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.997 0.427 . . . . 50.0 111.638 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -109.7 35.87 3.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.486 -0.779 . . . . 75.0 110.632 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -45.34 121.9 3.2 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.983 0.913 . . . . 75.0 112.486 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -103.06 153.68 20.03 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.072 -0.967 . . . . 75.0 110.219 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -127.04 140.95 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.282 -0.417 . . . . 75.0 109.998 177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -81.61 -171.47 3.34 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.919 -0.582 . . . . 50.0 112.04 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.46 -31.94 64.47 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.464 0.912 . . . . 75.0 113.464 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -90.96 -16.87 27.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.0 0.371 . . . . 50.0 112.0 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 19.51 16.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 121.489 -0.386 . . . . 50.0 113.438 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -88.23 149.77 23.66 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.23 -0.285 . . . . 75.0 110.23 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HG2' HG21 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.13 116.22 14.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.091 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.63 100.99 9.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.269 -0.878 . . . . 50.0 109.301 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -93.74 127.32 46.2 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 115.285 -0.871 . . . . 50.0 111.33 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.11 134.49 52.99 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.049 2.499 . . . . 75.0 113.589 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 47.2 mmtm -94.85 164.19 20.21 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 114.854 -1.066 . . . . 75.0 111.447 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.3 Cg_endo -61.56 148.85 92.02 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.181 1.92 . . . . 75.0 113.626 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.68 127.47 39.39 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.052 -0.976 . . . . 75.0 110.737 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HD2' ' HD2' ' A' ' 61' ' ' ARG . 1.7 mtm-85 -114.67 125.75 54.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.878 -0.601 . . . . 75.0 110.481 -175.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.4 m-70 -108.56 116.71 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.866 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 66.8 mtt -96.7 148.56 22.76 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.597 0.237 . . . . 75.0 110.887 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 59' ' ' MET . 99.0 m-85 -138.27 128.19 25.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.945 -0.57 . . . . 50.0 109.547 173.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.733 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 18.4 t -87.35 141.04 28.93 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.339 0.59 . . . . 75.0 111.759 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.74 176.2 7.08 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.932 -1.031 . . . . 50.0 111.939 -171.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -126.31 -8.49 6.4 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.7 -0.682 . . . . 50.0 110.801 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.41 HD22 ' HG1' ' A' ' 95' ' ' THR . 53.8 t-20 -143.92 143.69 31.38 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.928 0.394 . . . . 75.0 111.226 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -80.46 -31.37 37.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.478 -0.783 . . . . 75.0 112.596 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.41 ' HG1' HD22 ' A' ' 93' ' ' ASN . 82.8 p -72.93 -19.34 61.27 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.097 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -77.35 -62.7 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 108.882 -0.784 . . . . 50.0 108.882 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.522 ' HE2' ' O ' ' A' ' 51' ' ' THR . 4.1 ptm -48.44 -39.75 23.83 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.6 -25.12 63.81 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.841 0.682 . . . . 75.0 112.841 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.547 ' OD1' ' HA ' ' A' ' 1' ' ' PRO . 6.9 m-20 -87.26 -34.47 18.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.087 0.555 . . . . 75.0 111.991 175.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.72 -55.76 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.32 -44.04 54.07 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.896 0.878 . . . . 75.0 112.573 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.4 -59.52 5.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 119.394 -0.336 . . . . 75.0 111.543 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.455 HG21 ' CD2' ' A' ' 3' ' ' HIS . 85.5 m -50.21 -56.51 10.77 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.458 0.474 . . . . 25.0 109.93 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 48' ' ' LEU . 98.8 mt -43.72 -57.88 2.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.875 0.87 . . . . 50.0 110.97 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -55.99 -30.7 62.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.319 -0.855 . . . . 75.0 112.635 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.53 -20.29 54.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.717 0.407 . . . . 75.0 111.017 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.08 -43.39 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.695 0.798 . . . . 75.0 111.585 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.444 HD11 HD22 ' A' ' 48' ' ' LEU . 85.8 mt -72.5 -34.85 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 122.488 0.315 . . . . 50.0 111.461 -175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.8 p -63.6 -18.95 64.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.68 0.612 . . . . 50.0 111.459 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -77.78 -42.62 33.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.132 -0.485 . . . . 50.0 110.775 172.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -81.67 -0.73 44.03 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.758 -0.655 . . . . 50.0 111.269 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -92.62 -32.68 14.7 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.45 -0.795 . . . . 50.0 110.325 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -91.25 -32.49 15.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.521 -0.763 . . . . 50.0 111.285 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.88 89.64 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.009 0.923 . . . . 25.0 112.435 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 117.894 -1.05 . . . . 50.0 110.316 178.837 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.521 -0.231 . . . . 25.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 19.8 t 62.01 121.63 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 124.201 1.0 . . . . 50.0 112.27 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -73.33 142.61 33.81 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.35 2.033 . . . . 75.0 113.519 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.41 16.92 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.835 -0.62 . . . . 50.0 112.474 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -107.61 99.31 28.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.194 0.198 . . . . 50.0 111.106 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.66 153.72 76.95 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.827 2.352 . . . . 75.0 112.969 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -85.05 -18.22 35.02 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.783 -0.644 . . . . 50.0 112.002 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.53 132.27 8.68 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.413 0.446 . . . . 50.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 83.9 mt 58.32 107.89 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 50.0 111.871 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 51.0 mt -124.32 2.17 8.45 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.468 -1.242 . . . . 50.0 109.181 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 91.8 p -155.61 42.26 0.42 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.674 -0.694 . . . . 50.0 110.935 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -108.69 -96.54 2.44 Favored Glycine 0 C--N 1.34 0.764 0 C-N-CA 121.126 -0.559 . . . . 75.0 112.609 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -138.56 -15.48 1.21 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.993 0.368 . . . . 75.0 111.993 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -101.33 13.16 35.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.211 0.529 . . . . 75.0 112.204 -177.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -86.95 -19.51 28.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.289 -0.869 . . . . 75.0 111.302 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -94.54 -5.95 44.81 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.447 -0.342 . . . . 50.0 111.751 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.7 p -88.09 -3.89 58.83 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.511 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p -87.45 -34.96 18.53 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.15 -0.477 . . . . 75.0 110.989 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 32.9 pt -86.36 -24.96 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.945 -0.57 . . . . 75.0 110.423 174.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.4 9.11 21.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.511 0.672 . . . . 50.0 110.838 172.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -29.33 16.74 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 75.0 109.392 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.8 mmm -74.85 -18.51 60.43 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.571 -0.741 . . . . 50.0 111.103 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.28 -31.21 54.66 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.478 -0.783 . . . . 50.0 112.311 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.898 ' HA ' HD22 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -82.11 -17.19 47.35 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.099 0.778 . . . . 75.0 113.099 -173.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -86.64 -21.1 26.93 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.85 0.315 . . . . 50.0 111.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.25 -15.41 29.24 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.898 HD22 ' HA ' ' B' ' 542' ' ' PHE . 3.7 pp -86.21 -33.71 20.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.728 0.64 . . . . 50.0 112.728 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . 0.642 ' HG ' ' CD1' ' B' ' 545' ' ' LEU . 84.2 mt -85.27 -24.14 27.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.038 0.447 . . . . 50.0 110.489 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 49.2 m -106.22 58.83 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.085 -0.961 . . . . 75.0 110.266 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -92.87 2.22 56.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.481 -0.782 . . . . 75.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.7 mt -113.24 122.67 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 109.446 -0.576 . . . . 75.0 109.446 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 72.8 m -109.67 137.07 48.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.794 -0.639 . . . . 50.0 110.869 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.718 -0.658 . . . . 50.0 110.823 179.645 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo . . . . . 0 N--CA 1.484 0.927 0 N-CA-C 111.212 -0.341 . . . . 25.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -135.63 142.67 45.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.223 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.722 ' HD2' ' HG1' ' A' ' 103' ' ' THR . 62.6 m170 -84.44 -9.26 58.54 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.485 -0.78 . . . . 75.0 111.333 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p -143.98 149.55 36.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.952 -0.567 . . . . 50.0 111.059 -174.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.17 -114.57 0.47 Allowed Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.403 -0.817 . . . . 75.0 111.993 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.17 126.61 11.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 122.559 0.344 . . . . 25.0 110.495 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HB2' HG13 ' A' ' 16' ' ' ILE . . . -143.51 152.41 41.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 -177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 93.3 mt -110.58 137.9 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.72 -0.673 . . . . 75.0 109.37 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -141.39 120.86 13.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.901 -0.591 . . . . 75.0 109.634 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 62.15 39.18 13.1 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.716 0.806 . . . . 75.0 112.096 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.26 -5.27 1.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.653 1.181 . . . . 75.0 113.547 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' HZ1' ' A' ' 36' ' ' LYS . 94.4 t -94.13 119.21 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 172.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -80.32 137.57 36.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.461 -175.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.59 -158.2 8.57 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.2 -0.909 . . . . 75.0 113.094 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -125.81 138.58 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.119 -0.541 . . . . 75.0 109.643 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.644 HD12 HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.9 134.4 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.605 -178.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.13 139.49 41.23 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.316 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.1 mt -99.09 134.72 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.775 0.798 . . . . 50.0 110.774 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -100.89 107.54 19.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.671 -1.604 . . . . 50.0 111.36 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 47.9 mt-10 -122.63 167.71 13.08 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.418 -0.586 . . . . 75.0 109.418 173.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 65.7 m-20 70.78 3.53 4.63 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.669 0.788 . . . . 50.0 111.842 -172.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 23' ' ' SER . 21.2 m -101.87 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.275 -1.33 . . . . 50.0 109.872 176.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 22' ' ' VAL . 86.9 p -73.33 163.84 65.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 105.993 -1.854 . . . . 75.0 105.993 171.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -41.54 128.88 3.59 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 122.148 1.803 . . . . 50.0 113.272 -141.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 138.19 18.36 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 114.258 -1.337 . . . . 25.0 113.139 -165.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -122.57 171.77 8.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 113.686 -1.597 . . . . 75.0 111.16 -168.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 HD12 ' A' ' 16' ' ' ILE . 43.9 tp -127.36 107.68 10.19 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.028 -1.101 . . . . 75.0 108.028 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -108.52 112.09 24.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.654 -0.703 . . . . 25.0 111.254 -170.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.8 t90 -86.96 134.34 33.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.465 -0.789 . . . . 50.0 109.593 170.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -127.47 157.19 40.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.486 -0.779 . . . . 75.0 109.709 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 86.5 p -68.41 167.7 14.14 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.824 -0.435 . . . . 50.0 109.824 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.4 m -56.19 -28.92 59.99 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.42 -27.0 13.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.129 -0.487 . . . . 50.0 110.006 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 18.2 27.3 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.691 -0.686 . . . . 75.0 113.497 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 8.5 p-10 -70.2 -30.59 67.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.635 0.374 . . . . 75.0 110.746 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HZ1' HG11 ' A' ' 12' ' ' VAL . 16.8 mttp -110.13 135.33 51.1 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.006 -0.543 . . . . 75.0 109.617 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.34 134.27 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 120.842 0.353 . . . . 50.0 111.766 -174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 98.4 m-70 -127.83 147.24 50.43 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.619 -0.719 . . . . 50.0 109.555 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.39 129.22 44.45 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.868 0.366 . . . . 25.0 111.936 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 83.8 t -112.89 107.35 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.421 -0.809 . . . . 50.0 110.031 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.05 122.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD11 ' HB ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -75.81 -24.0 55.85 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.012 1.115 . . . . 75.0 114.012 -170.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 87.6 p -66.74 -3.47 6.77 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.093 0.473 . . . . 75.0 110.919 174.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.07 4.21 14.61 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.125 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 63' ' ' ILE . 21.6 mm -111.62 141.79 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.403 -0.817 . . . . 75.0 109.513 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -111.84 -44.24 3.49 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.998 -0.546 . . . . 50.0 111.511 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.97 173.72 11.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.9 0.381 . . . . 75.0 111.822 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.16 127.42 11.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.466 -0.788 . . . . 50.0 108.883 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -124.86 117.42 24.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.325 0.107 . . . . 75.0 110.806 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.02 151.74 28.96 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.004 0.372 . . . . 50.0 112.004 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -66.12 118.16 49.91 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-N 116.023 -0.535 . . . . 75.0 111.081 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.33 159.71 2.8 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.988 2.459 . . . . 75.0 113.468 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.607 ' HB3' ' HD2' ' A' ' 94' ' ' ARG . . . -71.89 -4.83 30.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.955 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.9 p -101.29 -17.47 16.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.639 -0.71 . . . . 50.0 111.148 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -71.06 136.74 48.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.126 0.57 . . . . 50.0 112.263 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -57.54 -28.19 63.3 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.898 -1.046 . . . . 75.0 112.278 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -83.84 153.96 23.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.783 -1.553 . . . . 75.0 113.574 -173.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.6 mtt -123.82 98.94 6.03 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.958 -1.019 . . . . 75.0 109.259 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.513 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 63.5 mtt -156.4 155.1 31.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.866 -0.606 . . . . 50.0 111.529 -175.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -135.55 119.73 17.71 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.427 -0.806 . . . . 50.0 109.464 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' NH2' ' SD ' ' A' ' 88' ' ' MET . 28.6 ttm180 -104.73 144.92 31.08 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.254 0.549 . . . . 75.0 112.108 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -128.41 105.22 8.17 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.979 -1.01 . . . . 50.0 110.488 -177.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' O ' HG21 ' A' ' 45' ' ' ILE . 89.4 mt -85.2 145.14 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.744 -0.465 . . . . 50.0 109.744 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.49 160.71 18.99 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 115.901 -0.591 . . . . 50.0 113.751 -174.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.73 131.59 35.46 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.126 0.571 . . . . 75.0 110.926 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.26 133.45 38.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.048 -0.524 . . . . 50.0 111.433 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -106.39 86.47 2.36 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.928 -1.033 . . . . 75.0 109.001 169.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -85.98 -1.8 57.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.962 -0.563 . . . . 75.0 112.173 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.6 -13.69 60.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.552 0.341 . . . . 50.0 111.616 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.14 39.67 1.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.548 0.69 . . . . 75.0 110.726 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' HG23 ' A' ' 81' ' ' VAL . 27.6 ttmt -44.76 116.97 1.17 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.878 -1.055 . . . . 75.0 112.462 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -102.94 145.96 29.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.068 -0.969 . . . . 75.0 110.078 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.7 138.12 53.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.044 -0.525 . . . . 75.0 109.716 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -77.85 -171.35 2.22 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.031 -0.531 . . . . 50.0 112.339 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.5 -31.88 62.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.62 0.97 . . . . 75.0 113.62 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -88.83 -16.69 31.41 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.868 0.321 . . . . 50.0 111.868 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 22.26 12.92 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.258 -0.428 . . . . 50.0 112.847 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -92.98 148.58 21.88 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.492 0.317 . . . . 75.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 81' ' ' VAL . 88.1 tt0 -68.7 119.45 13.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.824 -0.625 . . . . 50.0 111.52 -175.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -128.52 99.7 5.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.368 -0.833 . . . . 50.0 108.76 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 79' ' ' GLU . 93.7 t -97.33 127.36 38.5 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.309 -0.86 . . . . 50.0 111.014 -172.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.27 130.96 38.39 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.94 2.426 . . . . 75.0 113.366 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 84' ' ' PRO . 65.4 pttt -94.58 161.65 28.25 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.891 -1.05 . . . . 75.0 111.564 -175.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -65.26 149.54 88.42 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.334 2.023 . . . . 75.0 113.683 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -93.52 116.54 29.06 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.083 -0.962 . . . . 75.0 111.01 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 80.1 mtt85 -113.27 132.18 55.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.882 -1.054 . . . . 75.0 110.14 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 88.8 m-70 -121.5 113.03 19.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.147 -0.933 . . . . 75.0 111.108 -172.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.441 ' SD ' ' NH2' ' A' ' 61' ' ' ARG . 60.8 ttp -101.91 135.68 43.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.237 0.541 . . . . 75.0 111.035 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -117.69 165.65 13.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.719 -1.128 . . . . 50.0 108.938 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.476 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -119.23 144.84 46.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.831 0.348 . . . . 75.0 110.582 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -129.61 176.08 8.29 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.593 -0.73 . . . . 50.0 111.861 -172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -123.31 -17.78 6.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.685 -0.689 . . . . 50.0 110.971 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -141.94 143.62 33.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.663 0.385 . . . . 75.0 111.14 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.607 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 7.6 ttt180 -75.4 -28.08 59.3 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.494 -0.775 . . . . 75.0 112.145 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.8 p -74.19 -19.07 60.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.918 -0.583 . . . . 25.0 111.591 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.71 -62.54 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 109.057 -0.719 . . . . 50.0 109.057 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 24.7 ptp -43.78 -50.91 7.62 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.072 0.549 . . . . 50.0 112.213 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 97' ' ' MET . 82.5 m-20 -64.0 -26.08 68.41 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.521 0.513 . . . . 50.0 112.005 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -81.95 -33.18 30.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.867 0.467 . . . . 75.0 111.616 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.92 -51.76 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.372 -0.973 . . . . 50.0 108.372 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -44.99 -51.12 10.2 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.652 1.181 . . . . 75.0 112.3 172.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 ttm -53.79 -53.39 53.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.195 -0.911 . . . . 75.0 111.35 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.722 ' HG1' ' HD2' ' A' ' 3' ' ' HIS . 83.4 m -57.77 -61.08 2.78 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.314 0.384 . . . . 25.0 110.066 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 27' ' ' LEU . 91.1 mt -43.12 -57.28 2.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.234 1.014 . . . . 50.0 111.004 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -54.17 -32.44 55.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.001 -1.0 . . . . 75.0 113.242 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -76.41 -22.81 54.24 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.779 0.288 . . . . 75.0 111.779 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.554 ' HB ' HD11 ' A' ' 42' ' ' LEU . 92.4 mt -82.44 -42.28 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.906 -0.588 . . . . 75.0 111.768 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.86 -35.32 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 122.24 0.216 . . . . 50.0 111.106 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -64.26 -17.96 64.11 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.71 0.631 . . . . 50.0 111.457 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -78.08 -42.01 33.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.948 0.499 . . . . 50.0 110.94 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.477 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 78.0 m-85 -84.0 0.12 49.35 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.571 -0.74 . . . . 50.0 111.278 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -92.33 -32.2 15.08 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.358 -0.837 . . . . 50.0 109.717 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -98.04 -23.2 15.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.303 -0.862 . . . . 50.0 111.194 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -137.47 78.66 1.7 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.431 0.634 . . . . 25.0 110.944 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 111' ' ' TYR . 67.0 t0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.883 -1.056 . . . . 50.0 111.298 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.467 -0.253 . . . . 25.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 25.8 t -106.55 124.16 36.5 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-O 119.482 -0.294 . . . . 50.0 110.911 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -73.41 139.18 28.4 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.299 1.999 . . . . 75.0 113.54 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 157.88 40.35 0.02 OUTLIER Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.831 -0.622 . . . . 50.0 112.911 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -128.83 97.62 26.58 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 122.395 0.278 . . . . 50.0 110.685 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -67.16 -35.61 24.33 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.623 2.215 . . . . 75.0 113.495 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -108.85 135.1 50.61 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.29 0.369 . . . . 50.0 110.981 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 158.04 -36.03 0.53 Allowed Glycine 0 C--N 1.338 0.689 0 CA-C-N 115.848 -0.615 . . . . 50.0 112.912 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 84.7 mt -100.69 22.31 12.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 122.395 0.278 . . . . 50.0 111.591 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.44 -6.66 15.39 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 121.281 0.562 . . . . 50.0 110.82 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.5 t -148.76 108.62 4.04 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.118 -0.947 . . . . 50.0 109.098 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -95.74 35.49 4.29 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.179 -0.534 . . . . 50.0 113.492 -175.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -137.26 -20.16 1.23 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.708 0.289 . . . . 50.0 110.928 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -110.01 4.96 21.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.661 -0.7 . . . . 75.0 112.047 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.81 0.47 49.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.071 -0.968 . . . . 75.0 111.408 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.15 -28.18 15.19 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.046 0.387 . . . . 50.0 112.046 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.4 p -96.9 -6.77 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.573 0.546 . . . . 75.0 111.632 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 93.7 p -81.0 -27.63 35.8 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.204 -0.453 . . . . 50.0 110.59 172.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.1 pt -89.52 -17.44 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.66 -0.7 . . . . 75.0 109.883 171.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.14 1.93 48.7 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.408 0.623 . . . . 75.0 111.435 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -87.27 -23.9 24.53 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.725 -1.125 . . . . 75.0 108.726 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -75.25 -25.63 58.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.804 -1.089 . . . . 50.0 110.924 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -84.93 -33.12 22.75 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.459 -0.791 . . . . 75.0 112.279 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -18.23 35.98 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.448 0.536 . . . . 75.0 112.448 -174.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -86.09 -17.59 34.69 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.773 0.286 . . . . 50.0 111.773 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.18 -15.2 29.71 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.24 0.338 . . . . 25.0 111.88 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.6 -34.45 19.86 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.553 0.575 . . . . 75.0 112.553 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.3 mt -79.68 -30.8 41.25 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.873 0.368 . . . . 75.0 111.376 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 85.1 p -92.5 -55.19 3.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.368 -0.833 . . . . 75.0 111.166 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 52.18 100.52 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.085 0.954 . . . . 75.0 112.655 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 69.6 mt -123.33 126.77 73.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.594 -0.73 . . . . 50.0 110.996 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 77.8 p -114.67 -30.99 6.31 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.745 -0.661 . . . . 50.0 111.558 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 124.063 0.945 . . . . 50.0 111.787 -179.251 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 111.63 -0.181 . . . . 25.0 111.63 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 99' ' ' ASN . 82.5 p -137.23 21.44 2.98 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.58 -177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -99.49 -31.41 11.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.372 -0.376 . . . . 75.0 111.931 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -132.07 138.57 48.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.017 0.437 . . . . 75.0 111.902 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.17 -114.57 0.73 Allowed Glycine 0 C--N 1.334 0.423 0 CA-C-N 114.996 -1.002 . . . . 75.0 111.781 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.608 0.363 . . . . 25.0 110.54 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.33 154.38 41.6 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.743 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 96.9 mt -112.76 137.48 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.525 -0.761 . . . . 75.0 109.065 175.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -141.13 117.58 10.82 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.171 -0.468 . . . . 75.0 109.791 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 63.69 41.07 7.34 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.879 0.872 . . . . 75.0 112.031 -177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 70.67 -7.54 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.705 1.202 . . . . 50.0 113.611 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.92 121.21 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.975 -0.75 . . . . 50.0 108.975 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.447 ' HA ' HG12 ' A' ' 8' ' ' ILE . 47.3 t -81.75 135.93 35.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.037 -0.529 . . . . 75.0 111.273 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.77 -157.47 8.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.067 -0.97 . . . . 75.0 113.013 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 93.3 mt -126.3 138.74 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.189 -0.506 . . . . 75.0 109.847 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.534 HD13 HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.76 135.43 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 116.074 -0.512 . . . . 75.0 110.392 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 141.14 42.32 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.989 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.54 129.59 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.338 0.589 . . . . 75.0 110.633 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' ND2' ' HG1' ' A' ' 28' ' ' THR . 83.9 m-20 -96.63 105.67 17.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.562 -1.199 . . . . 50.0 111.405 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -121.29 168.29 11.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.083 -0.71 . . . . 75.0 109.083 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 71.46 3.7 4.77 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 123.733 0.813 . . . . 50.0 111.691 -172.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.47 -172.5 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 114.275 -1.329 . . . . 50.0 110.167 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -73.64 159.83 83.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 105.27 -2.122 . . . . 50.0 105.27 171.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.78 130.28 2.76 Favored 'Trans proline' 0 C--N 1.374 1.911 0 CA-C-N 122.193 1.819 . . . . 50.0 114.029 -139.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.4 138.55 7.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 113.826 -1.534 . . . . 25.0 113.462 -168.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.57 171.29 10.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.371 -1.741 . . . . 75.0 110.808 -169.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 16' ' ' ILE . 59.9 tp -121.29 121.39 37.59 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.701 -0.852 . . . . 75.0 108.701 167.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 ' HG1' ' ND2' ' A' ' 19' ' ' ASN . 97.0 m -114.33 107.98 16.29 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.795 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.672 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 70.1 t90 -84.53 136.2 33.9 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.549 -0.751 . . . . 50.0 109.218 170.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 74.9 mtp85 -126.76 165.73 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.392 -0.822 . . . . 75.0 110.006 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.657 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 86.6 p -73.77 166.53 23.15 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 175.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 m -53.77 -29.96 42.42 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 25.0 112.763 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -99.66 -31.34 11.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.322 -0.399 . . . . 50.0 110.589 170.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.657 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . 105.8 18.94 10.78 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.572 -0.74 . . . . 75.0 114.204 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.92 -30.38 69.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.891 0.345 . . . . 75.0 110.835 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 60.5 mttp -106.15 143.27 34.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.468 -0.567 . . . . 75.0 109.468 173.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.32 136.7 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 116.48 -0.327 . . . . 50.0 111.818 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.672 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -133.14 146.83 51.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.845 -0.616 . . . . 50.0 109.628 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -129.33 140.7 51.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.09 0.472 . . . . 25.0 111.895 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -126.48 108.16 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 115.06 -0.973 . . . . 50.0 109.584 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.15 122.68 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.51 -21.7 52.34 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.645 0.98 . . . . 75.0 113.645 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -67.95 -4.05 11.86 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.227 0.537 . . . . 50.0 110.569 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.25 3.21 14.22 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.218 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.453 HG21 HD22 ' A' ' 48' ' ' LEU . 48.0 mm -109.1 139.67 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.411 -0.813 . . . . 75.0 109.329 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -105.32 -49.56 3.42 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 50.0 111.524 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' HD23 ' A' ' 48' ' ' LEU . 57.7 mttp -132.21 174.98 9.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 122.611 0.364 . . . . 75.0 111.294 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 104' ' ' LEU . 15.3 mt -150.61 137.6 19.22 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.236 -0.653 . . . . 50.0 109.236 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.545 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 96.4 mt-30 -134.33 118.84 17.95 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.573 0.212 . . . . 75.0 111.573 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.687 ' HB3' ' SD ' ' A' ' 97' ' ' MET . . . -112.2 152.48 28.35 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.292 0.478 . . . . 50.0 112.292 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.769 ' CG2' ' H ' ' A' ' 59' ' ' MET . 9.2 t -71.33 122.46 87.14 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 123.252 0.621 . . . . 50.0 111.523 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.01 163.55 4.17 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.014 2.476 . . . . 75.0 113.463 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -12.82 61.5 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.986 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.563 ' HG ' HE22 ' B' ' 548' ' ' GLN . 87.0 p -95.76 -16.7 21.75 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.896 -0.593 . . . . 75.0 111.367 176.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 57' ' ' LYS . 29.5 t -68.97 146.29 52.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.339 0.656 . . . . 50.0 112.545 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -4.95 2.36 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.776 -1.102 . . . . 50.0 112.564 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 51' ' ' THR . 75.9 mmtt -120.73 147.13 45.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.72 -1.127 . . . . 75.0 112.667 -163.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.699 ' HA ' HG22 ' A' ' 51' ' ' THR . 73.3 mtm -120.03 95.84 4.92 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.701 -1.136 . . . . 75.0 108.701 168.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.769 ' H ' ' CG2' ' A' ' 51' ' ' THR . 8.0 ptp -156.02 159.04 38.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.431 -0.804 . . . . 75.0 111.837 -174.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 15.0 tp -135.44 119.51 17.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.927 -1.033 . . . . 50.0 109.05 178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.605 ' HE ' ' HD1' ' B' ' 542' ' ' PHE . 91.7 mtt-85 -104.68 144.29 31.92 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.314 0.578 . . . . 75.0 112.006 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 5.5 mp -123.91 107.82 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.767 -1.106 . . . . 50.0 110.517 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' ' 86' ' ' ARG . 79.3 mt -85.44 130.24 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 115.49 -0.777 . . . . 50.0 109.956 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.77 170.98 35.53 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.711 -0.677 . . . . 50.0 113.854 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -92.0 122.09 34.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.544 0.572 . . . . 75.0 112.544 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 84' ' ' PRO . 1.5 t -121.16 149.44 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.362 -0.835 . . . . 50.0 110.896 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -89.39 104.47 17.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.92 -1.036 . . . . 75.0 109.789 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -85.64 -1.18 56.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.613 -0.721 . . . . 75.0 112.53 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -83.42 -15.99 47.57 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.188 0.44 . . . . 50.0 112.188 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.42 33.64 0.69 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.372 0.669 . . . . 75.0 111.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -46.49 120.45 2.89 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.035 0.934 . . . . 75.0 112.376 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -99.74 151.61 21.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 50.0 110.539 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.38 141.61 51.84 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.103 -0.499 . . . . 75.0 109.891 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -83.76 -170.03 2.87 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.89 -0.595 . . . . 50.0 111.891 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.07 -31.66 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.498 0.925 . . . . 75.0 113.498 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -90.01 -15.82 31.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.987 0.365 . . . . 50.0 111.987 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.85 30.37 Favored Glycine 0 C--N 1.34 0.769 0 O-C-N 123.365 0.416 . . . . 50.0 112.806 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.58 145.12 27.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.546 0.338 . . . . 75.0 110.163 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' HG2' HG21 ' A' ' 81' ' ' VAL . 88.1 tt0 -73.42 117.36 15.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.174 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.76 100.83 8.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.257 -0.883 . . . . 50.0 109.146 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 HG21 ' HG2' ' A' ' 79' ' ' GLU . 66.0 t -98.98 128.92 30.84 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 115.148 -0.933 . . . . 50.0 111.811 -170.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 122.3 8.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.719 2.279 . . . . 75.0 111.672 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.48 160.59 30.17 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 114.668 -1.151 . . . . 75.0 112.877 -172.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 42.4 Cg_exo -63.75 155.84 61.15 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.357 2.705 . . . . 75.0 113.931 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -89.96 162.44 15.4 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.143 -0.935 . . . . 75.0 110.513 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.488 ' HE ' ' CG ' ' B' ' 539' ' ' ASP . 84.5 mtm-85 -144.86 125.84 14.48 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.055 0.455 . . . . 75.0 110.984 -175.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.671 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 90.0 m-70 -102.01 155.79 17.95 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.164 -0.926 . . . . 75.0 109.868 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.4 ttp -139.83 143.29 36.73 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.996 0.427 . . . . 75.0 111.17 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -135.18 129.53 33.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.227 -0.897 . . . . 50.0 109.328 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.743 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 13.8 t -87.55 141.27 28.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.354 0.597 . . . . 75.0 111.908 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.506 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 11.9 m-85 -123.94 175.4 6.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.7 -1.137 . . . . 50.0 111.539 -172.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -123.21 -17.1 6.73 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.136 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -146.12 128.28 15.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.867 0.365 . . . . 75.0 110.964 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -58.46 -20.43 45.17 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.882 0.873 . . . . 75.0 113.304 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.1 p -75.43 -31.72 60.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.187 0.304 . . . . 25.0 111.45 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.5 -62.11 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.371 -0.603 . . . . 50.0 109.371 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.687 ' SD ' ' HB3' ' A' ' 50' ' ' ALA . 39.8 ttp -48.66 -31.77 7.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.101 0.96 . . . . 50.0 113.538 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -81.21 -22.49 38.78 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.697 0.258 . . . . 50.0 111.697 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 2' ' ' SER . 2.9 m-80 -86.74 -33.86 19.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.65 0.38 . . . . 75.0 111.734 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.72 -52.27 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.158 -0.682 . . . . 50.0 109.158 173.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -55.28 -40.06 70.57 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.682 0.793 . . . . 75.0 111.84 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.6 ttp -54.81 -49.4 71.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.215 0.606 . . . . 75.0 111.426 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.7 m -62.21 -57.44 11.43 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.245 0.341 . . . . 25.0 110.129 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' A' ' 48' ' ' LEU . 85.1 mt -43.84 -59.48 2.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.909 0.884 . . . . 50.0 110.795 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -50.75 -30.31 13.65 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.125 0.97 . . . . 75.0 113.496 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.06 -20.59 28.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 75.0 111.132 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.9 -42.07 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.143 0.577 . . . . 75.0 111.508 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.46 -34.85 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 117.699 0.227 . . . . 50.0 110.934 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -63.79 -16.99 62.62 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.617 0.573 . . . . 50.0 111.735 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.48 -41.64 23.98 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.267 -0.424 . . . . 50.0 110.468 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -82.11 -2.47 52.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.349 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -89.24 -28.6 19.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.377 -0.829 . . . . 75.0 109.999 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.78 -17.52 25.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.33 -0.85 . . . . 50.0 111.169 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.83 -4.85 56.16 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.365 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.3 t0 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 117.946 -1.026 . . . . 50.0 110.358 -179.448 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.509 -0.236 . . . . 25.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 33.8 t -112.06 106.64 56.21 Favored Pre-proline 0 CA--C 1.545 0.767 0 O-C-N 123.651 0.265 . . . . 50.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -63.3 148.48 92.87 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.695 2.263 . . . . 50.0 113.099 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -150.62 106.04 0.3 Allowed Glycine 0 C--N 1.338 0.686 0 CA-C-N 115.976 -0.556 . . . . 50.0 112.576 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 82.6 t80 57.76 92.94 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.281 0 C-N-CA 123.946 0.898 . . . . 75.0 112.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.81 148.35 76.86 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.644 2.229 . . . . 75.0 113.165 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.84 136.16 47.15 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.94 -0.573 . . . . 50.0 111.122 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . 0.428 ' HA3' ' OD2' ' B' ' 533' ' ' ASP . . . 116.83 95.18 1.86 Allowed Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.743 -0.662 . . . . 50.0 112.077 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' B' ' 529' ' ' SER . 54.9 mt -120.93 179.86 4.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.863 0.363 . . . . 75.0 111.36 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 68.7 mt 62.43 -15.13 0.05 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.249 1.42 . . . . 50.0 112.945 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 529' ' ' SER . . . . . 0.523 ' H ' ' C ' ' B' ' 527' ' ' LEU . 9.9 t -141.28 -58.13 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.225 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.42 6.74 89.11 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 116.019 -0.537 . . . . 50.0 114.174 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -131.26 -1.42 4.0 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.417 0.287 . . . . 75.0 111.693 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -97.68 7.76 45.86 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 122.93 0.492 . . . . 75.0 112.308 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . 0.428 ' OD2' ' HA3' ' B' ' 526' ' ' GLY . 5.7 m-20 -102.95 -24.91 13.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.21 -0.904 . . . . 75.0 111.464 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.01 -14.28 19.53 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -85.83 -3.51 58.93 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.248 0.343 . . . . 75.0 111.692 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.8 p -85.01 -37.37 20.47 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.857 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 40.6 pt -89.51 -21.3 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.012 -0.54 . . . . 50.0 110.844 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.09 9.83 18.58 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.392 0.615 . . . . 75.0 110.912 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.488 ' CG ' ' HE ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -94.8 -32.04 13.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.877 -1.056 . . . . 75.0 109.827 175.088 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 95.2 mmm -73.16 -17.14 61.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.927 -0.579 . . . . 50.0 110.948 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -78.53 -29.7 46.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.21 -0.904 . . . . 75.0 112.588 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.605 ' HD1' ' HE ' ' A' ' 61' ' ' ARG . 1.3 t80 -82.56 -17.72 43.92 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.814 0.672 . . . . 75.0 112.814 -173.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 87.7 p -86.14 -19.74 29.68 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.736 0.273 . . . . 50.0 111.736 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.2 -15.38 29.38 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.304 0.378 . . . . 25.0 111.894 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 90.5 mt -86.56 -32.88 20.44 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.827 0.677 . . . . 75.0 112.827 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.07 -31.27 30.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.834 0.349 . . . . 50.0 111.248 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.4 p -90.52 -54.64 3.91 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.369 -0.832 . . . . 75.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.563 HE22 ' HG ' ' A' ' 54' ' ' SER . 31.1 mt-30 50.33 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.065 0.946 . . . . 75.0 112.639 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 98.2 mt -110.28 115.48 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.692 -0.686 . . . . 75.0 109.654 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 42.0 t -116.44 133.27 56.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.027 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.706 -0.664 . . . . 50.0 110.794 179.715 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo . . . . . 0 N--CA 1.482 0.828 0 N-CA-C 111.177 -0.355 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -142.53 133.57 25.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.706 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -83.05 -10.86 58.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.592 -0.731 . . . . 75.0 110.988 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 97.3 p -137.93 156.71 47.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.78 -0.646 . . . . 75.0 111.124 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.17 -131.32 1.28 Allowed Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.632 -0.713 . . . . 75.0 111.906 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.36 130.76 41.13 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.417 0.151 . . . . 25.0 110.72 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.497 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.24 151.57 40.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.654 -178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.724 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 74.8 mt -113.0 132.09 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 109.257 -0.646 . . . . 75.0 109.257 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -137.8 116.41 12.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.187 -0.46 . . . . 75.0 109.93 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.19 39.9 7.2 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.883 0.873 . . . . 75.0 111.75 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 69.21 -4.68 1.23 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.697 1.199 . . . . 50.0 113.594 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.23 113.99 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.706 -0.85 . . . . 50.0 108.706 171.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -74.5 133.14 42.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.081 -0.509 . . . . 50.0 111.034 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.14 -160.06 8.65 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.224 -0.898 . . . . 75.0 113.516 -174.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -127.28 133.19 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 114.822 -0.689 . . . . 75.0 109.972 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 HD13 HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 132.72 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.635 -179.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.21 135.8 37.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 25.0 111.224 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -96.24 134.66 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 121.794 0.807 . . . . 50.0 110.645 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -100.44 105.73 17.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.663 -1.608 . . . . 50.0 111.132 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' OE2' HD11 ' A' ' 107' ' ' ILE . 92.9 mt-10 -119.72 167.89 11.61 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.041 -0.726 . . . . 75.0 109.041 173.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 73.71 1.12 3.84 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.961 0.905 . . . . 50.0 110.639 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -103.03 -172.65 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 114.711 -1.132 . . . . 50.0 110.107 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.77 160.84 81.09 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 105.942 -1.873 . . . . 75.0 105.942 171.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -40.95 128.99 2.87 Favored 'Trans proline' 0 C--N 1.37 1.702 0 CA-C-N 121.856 1.698 . . . . 50.0 113.664 -139.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.6 137.0 9.58 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.041 -1.436 . . . . 25.0 113.264 -168.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.5 mt-10 -121.54 172.17 8.28 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.403 -1.726 . . . . 75.0 111.041 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 22.8 tp -128.27 105.56 8.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.353 -0.98 . . . . 75.0 108.353 174.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -105.46 111.55 24.3 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.376 -171.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.2 t90 -85.87 137.52 32.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.662 -0.699 . . . . 50.0 109.532 170.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -129.57 167.41 17.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.15 -0.932 . . . . 75.0 109.03 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.495 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.5 p -77.34 170.69 16.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.527 -0.546 . . . . 50.0 109.527 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.408 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.8 OUTLIER -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.524 0.602 . . . . 25.0 112.546 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.32 -31.04 13.09 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 169.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.91 18.29 15.93 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.258 -0.883 . . . . 75.0 113.753 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -68.43 -29.33 67.97 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.782 0.433 . . . . 50.0 111.642 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 1.2 mttp -104.36 140.9 37.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.108 -0.701 . . . . 75.0 109.108 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -149.12 140.57 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 N-CA-C 112.334 0.494 . . . . 50.0 112.334 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.543 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 96.6 m-70 -137.03 147.49 46.23 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.504 -0.771 . . . . 50.0 109.267 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.5 m -129.28 131.4 46.98 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 93.4 t -116.61 107.82 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.376 -0.829 . . . . 50.0 110.217 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -80.53 122.41 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.602 -0.888 . . . . 50.0 108.602 175.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 104' ' ' LEU . 3.4 mm? -77.32 -23.78 50.92 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.057 1.132 . . . . 75.0 114.057 -171.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -67.02 -3.5 7.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.186 0.517 . . . . 50.0 110.577 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.3 p -115.51 -2.85 12.44 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.722 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.05 144.62 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.741 0.816 . . . . 75.0 109.338 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -110.18 -45.41 3.59 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.349 -0.387 . . . . 50.0 111.861 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.61 ' HB2' HD11 ' A' ' 63' ' ' ILE . 63.0 mttp -133.06 174.67 10.11 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.943 0.401 . . . . 75.0 111.909 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 7.1 tt -150.17 129.86 13.19 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.765 -0.828 . . . . 50.0 108.765 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.609 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 18.5 mt-30 -127.26 114.55 17.77 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.751 0.31 . . . . 75.0 111.677 -176.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.41 157.85 21.39 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.85 HG21 ' HA ' ' A' ' 58' ' ' MET . 4.8 t -75.34 125.22 89.14 Favored Pre-proline 0 N--CA 1.481 1.108 0 CA-C-N 115.756 -0.656 . . . . 50.0 111.411 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -57.8 163.26 9.49 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.715 2.277 . . . . 75.0 112.984 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.33 55.87 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.997 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.8 p -95.59 -17.65 21.21 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.89 -0.595 . . . . 75.0 110.958 173.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.46 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -70.84 140.97 51.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.696 -0.683 . . . . 50.0 112.57 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.92 -17.42 64.33 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.968 -1.015 . . . . 50.0 111.773 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.68 154.99 16.93 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.769 -1.105 . . . . 50.0 112.978 -172.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.85 ' HA ' HG21 ' A' ' 51' ' ' THR . 75.2 mtm -127.65 99.03 5.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.823 -1.081 . . . . 75.0 108.991 169.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.813 ' H ' HG23 ' A' ' 51' ' ' THR . 11.1 ptp -155.67 158.42 38.25 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.759 -0.655 . . . . 50.0 111.861 -173.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.61 118.31 11.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.086 -0.961 . . . . 50.0 108.999 176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 67.4 mtp85 -103.29 145.99 29.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.194 0.521 . . . . 75.0 111.711 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -126.69 106.67 9.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.801 -1.09 . . . . 50.0 109.956 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.637 HG12 ' HG2' ' A' ' 86' ' ' ARG . 8.2 mt -85.64 129.41 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.112 -173.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.88 159.52 34.46 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.763 -0.653 . . . . 50.0 113.089 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.53 117.24 21.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.912 0.708 . . . . 75.0 112.912 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.9 t -121.79 143.37 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 114.589 -1.187 . . . . 50.0 110.544 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.5 93.57 6.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.06 -0.973 . . . . 50.0 109.399 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.75 -1.28 3.66 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.359 0.874 . . . . 75.0 113.359 -173.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -81.3 2.68 27.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.655 0.382 . . . . 50.0 111.711 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -91.69 27.42 2.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.01 0.524 . . . . 75.0 111.245 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -47.93 119.09 2.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.905 0.882 . . . . 75.0 112.399 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -105.94 154.56 20.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.334 -0.848 . . . . 50.0 110.303 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.66 143.7 51.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.41 -0.359 . . . . 75.0 110.116 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -85.18 -171.11 3.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.775 -0.648 . . . . 50.0 111.695 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.89 -31.64 66.94 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.315 0.857 . . . . 75.0 113.315 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -88.77 -18.07 28.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.87 0.322 . . . . 50.0 111.87 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 14.71 31.48 Favored Glycine 0 C--N 1.343 0.94 0 C-N-CA 121.505 -0.378 . . . . 50.0 113.552 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -83.58 147.99 27.43 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.114 -0.328 . . . . 75.0 110.114 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.625 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -75.03 114.01 13.02 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.278 -174.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.64 100.98 11.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.229 -0.896 . . . . 50.0 109.235 176.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.53 126.74 44.44 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 115.338 -0.847 . . . . 50.0 111.548 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.21 127.55 15.2 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.827 2.351 . . . . 75.0 112.378 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 149.72 36.73 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.175 -0.92 . . . . 75.0 111.717 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 148.2 55.06 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.611 2.207 . . . . 75.0 113.638 177.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -92.48 136.1 33.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.655 -1.157 . . . . 75.0 110.945 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.637 ' HG2' HG12 ' A' ' 63' ' ' ILE . 99.9 mtt180 -115.95 139.59 50.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 75.0 110.252 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 -105.71 112.13 25.08 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.773 0.321 . . . . 75.0 110.262 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.7 ttt -100.04 138.62 36.86 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.046 -0.524 . . . . 75.0 110.995 -175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -131.15 126.67 36.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.423 -0.808 . . . . 50.0 109.596 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.724 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 22.6 t -81.76 136.18 35.44 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.328 0.585 . . . . 75.0 111.219 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' HB2' ' HE1' ' A' ' 97' ' ' MET . 8.9 m-85 -117.01 175.57 5.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.921 -1.036 . . . . 50.0 111.612 -173.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -122.66 -15.22 7.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.5 -0.773 . . . . 75.0 111.299 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -151.24 132.15 14.2 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.956 0.502 . . . . 75.0 110.457 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.616 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 10.6 mpt_? -62.5 -18.32 61.63 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.481 0.919 . . . . 75.0 113.481 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 p -75.78 -29.35 58.74 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.089 0.243 . . . . 25.0 111.308 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.5 -62.5 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.616 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 22.8 ptp -46.63 -32.95 3.82 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.145 0.978 . . . . 50.0 113.438 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -80.11 -24.76 40.31 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.058 0.224 . . . . 50.0 111.583 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -85.61 -31.31 22.68 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.413 0.446 . . . . 75.0 111.762 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.649 HG22 ' CD2' ' A' ' 104' ' ' LEU . 32.0 mm -71.56 -53.11 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 172.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -50.93 -43.95 60.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.7 0.8 . . . . 75.0 111.78 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.53 -51.79 64.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.242 0.617 . . . . 75.0 111.641 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -61.09 2.88 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.649 ' CD2' HG22 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -43.25 -59.42 2.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.288 1.035 . . . . 50.0 110.978 177.059 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -49.65 -32.36 12.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.139 0.975 . . . . 75.0 113.597 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.29 -20.65 34.04 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.401 0.438 . . . . 75.0 111.225 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.684 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 60.5 mt -85.62 -34.25 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 123.546 0.738 . . . . 75.0 111.664 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.1 -43.14 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 118.181 0.446 . . . . 50.0 110.88 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 89.0 p -63.16 -22.54 66.93 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.195 0.522 . . . . 50.0 110.386 173.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.684 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 50.1 tpt85 -68.64 -39.02 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.612 1.165 . . . . 75.0 111.253 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -90.27 -6.79 54.77 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.841 -0.618 . . . . 50.0 111.83 175.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 64.6 tttm -86.24 -30.85 22.04 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.158 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.16 -34.62 16.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.413 -0.812 . . . . 50.0 111.163 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.0 85.08 0.05 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.987 0.915 . . . . 25.0 112.506 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 124.668 1.187 . . . . 50.0 112.598 -179.243 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.6 -0.2 . . . . 25.0 112.6 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 34.9 t -115.41 131.24 23.71 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 122.306 0.242 . . . . 50.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.44 -18.74 25.85 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.512 2.141 . . . . 75.0 114.051 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 148.51 -68.87 0.35 Allowed Glycine 0 C--N 1.34 0.767 0 O-C-N 123.467 0.48 . . . . 50.0 112.461 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -112.14 112.53 52.41 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 122.343 0.257 . . . . 50.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -64.04 141.99 79.21 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.432 2.088 . . . . 75.0 113.05 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.98 140.82 48.87 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.824 -0.626 . . . . 50.0 111.287 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -100.25 148.24 18.34 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.826 -0.625 . . . . 50.0 112.548 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.84 20.02 18.21 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.83 0.348 . . . . 50.0 111.433 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.3 mt -75.06 11.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.579 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 84.3 p -127.48 -19.74 4.15 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -88.48 -10.77 67.39 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 116.344 -0.389 . . . . 75.0 113.388 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.15 -0.86 11.49 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.882 0.372 . . . . 75.0 110.852 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -104.42 8.81 35.82 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.637 -0.711 . . . . 75.0 112.324 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -101.39 -10.28 20.38 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.359 -0.837 . . . . 75.0 111.135 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.84 -5.78 52.77 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.409 -0.359 . . . . 50.0 111.813 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 98.0 p -88.51 -7.64 56.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.33 -0.395 . . . . 50.0 111.246 175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 91.8 p -80.24 -31.76 38.45 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.841 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.3 pt -88.19 -18.51 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 123.534 0.521 . . . . 50.0 110.321 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -89.48 9.37 26.73 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.439 0.637 . . . . 50.0 110.712 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' A' ' 86' ' ' ARG . 33.5 t70 -93.57 -33.85 13.56 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.771 -1.104 . . . . 75.0 109.696 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.2 mmm -71.34 -15.83 62.41 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.812 -0.631 . . . . 50.0 110.949 170.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -77.94 -38.52 45.19 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.301 -0.863 . . . . 75.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 20.8 t80 -84.65 -28.45 26.42 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.859 0.689 . . . . 75.0 112.859 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -70.04 -25.01 63.36 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 -173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.85 -15.89 29.18 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.231 0.332 . . . . 25.0 111.467 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 42.9 mt -87.07 -34.96 18.98 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.961 -0.563 . . . . 50.0 112.164 -177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -84.41 -24.39 29.63 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.967 0.413 . . . . 50.0 110.713 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 55.9 m -98.95 69.53 1.78 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.085 -0.961 . . . . 50.0 110.334 174.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -102.26 71.67 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.308 -0.86 . . . . 75.0 111.108 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 93.6 mt -119.38 -36.54 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 115.336 -0.847 . . . . 50.0 111.721 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 40.0 t -115.16 138.44 50.91 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.271 -0.422 . . . . 50.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.743 -0.646 . . . . 50.0 110.617 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.6 t . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.988 0.423 . . . . 25.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.51 -119.33 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.175 -0.921 . . . . 25.0 111.957 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.14 123.63 10.37 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.751 0.42 . . . . 25.0 110.321 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -141.0 152.87 45.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 86.8 mt -112.63 138.24 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.736 -0.665 . . . . 25.0 109.27 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -140.91 121.73 14.42 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.912 -0.586 . . . . 25.0 109.636 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 61.12 39.47 16.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.714 0.806 . . . . 25.0 112.06 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.61 -6.35 1.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.581 1.152 . . . . 25.0 113.767 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 36' ' ' LYS . 88.9 t -93.53 120.86 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 173.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -81.96 137.0 35.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.513 -175.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.65 -158.89 8.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.873 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.73 138.71 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.475 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 140.04 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.545 -178.345 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.0 140.91 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.469 0.481 . . . . 25.0 111.129 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.27 140.26 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.427 0.632 . . . . 25.0 109.964 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.5 t30 -110.88 100.2 8.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.425 -1.261 . . . . 25.0 110.54 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -122.56 167.36 13.48 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.16 2.5 4.34 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.932 0.893 . . . . 25.0 110.594 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.72 -173.45 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.785 -1.098 . . . . 25.0 110.517 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.47 159.91 82.41 Favored Pre-proline 0 N--CA 1.471 0.601 0 N-CA-C 105.319 -2.104 . . . . 25.0 105.319 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.88 130.07 4.17 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.425 1.902 . . . . 25.0 113.502 -140.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.02 132.25 15.42 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.975 -1.466 . . . . 25.0 112.79 -167.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -128.79 141.84 51.18 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.016 -0.993 . . . . 25.0 113.093 -173.058 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 47.8 tp -96.72 105.12 17.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -104.87 107.99 19.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.373 -1.285 . . . . 25.0 111.187 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -85.3 131.94 34.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.445 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -126.18 157.25 38.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.604 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.555 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.7 p -67.93 167.92 12.76 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.2 -0.429 . . . . 25.0 109.971 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.45 -30.08 51.66 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -98.69 -31.65 11.8 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.219 -0.446 . . . . 25.0 109.954 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.99 17.96 15.0 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 115.596 -0.729 . . . . 25.0 113.898 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.5 p-10 -69.08 -28.92 66.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.602 0.361 . . . . 25.0 111.517 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 3.7 mttp -107.12 138.49 43.19 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.18 132.5 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 120.955 0.407 . . . . 25.0 111.788 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -124.89 144.26 50.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.216 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -128.92 129.18 45.15 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.5 t -114.73 107.68 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.507 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.41 118.62 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 104' ' ' LEU . 2.6 mm? -76.52 -17.63 59.16 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -171.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -70.37 -4.05 20.44 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.114 0.483 . . . . 25.0 110.413 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.79 -0.24 12.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.048 -0.978 . . . . 25.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.0 mm -103.29 141.57 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.433 0.693 . . . . 25.0 109.758 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -108.84 -42.54 4.45 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 25.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 96.7 mttt -133.5 171.87 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.728 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.46 129.65 12.75 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 115.434 -0.803 . . . . 25.0 109.141 177.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -127.67 125.29 39.82 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.691 0.223 . . . . 25.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.52 151.9 35.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 58' ' ' MET . 9.2 t -67.75 120.57 74.54 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 122.987 0.515 . . . . 25.0 111.357 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.4 164.03 7.61 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.648 2.232 . . . . 25.0 113.176 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.25 -7.66 53.49 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.782 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -93.81 -18.06 22.43 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.922 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -73.54 139.5 45.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.733 -0.667 . . . . 25.0 112.223 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.19 -14.46 60.67 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.108 -0.951 . . . . 25.0 111.981 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -97.58 150.74 20.8 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.699 -1.137 . . . . 25.0 113.114 -170.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.675 ' HA ' HG21 ' A' ' 51' ' ' THR . 66.4 mtm -120.64 97.85 5.75 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.085 -0.961 . . . . 25.0 109.102 168.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.603 ' H ' ' CG2' ' A' ' 51' ' ' THR . 10.0 ptp -157.6 160.66 38.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.603 -174.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.1 tp -142.17 119.53 11.57 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.426 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -99.91 145.78 27.41 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.829 0.347 . . . . 25.0 111.138 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 3.8 mm? -127.86 114.1 16.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.598 -0.728 . . . . 25.0 109.86 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 6.1 mt -93.62 125.27 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.117 -170.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.65 166.33 41.35 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.542 -0.754 . . . . 25.0 113.472 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.236 0.353 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 -178.799 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.6 p -79.16 -1.81 37.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.712 0.291 . . . . 25.0 111.729 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -97.19 34.51 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.784 -0.644 . . . . 25.0 110.874 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -46.02 121.79 3.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.159 0.984 . . . . 25.0 112.425 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -102.61 152.14 21.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.891 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.28 147.9 50.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.368 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.446 ' OD2' ' HB2' ' A' ' 78' ' ' ASN . 10.7 p30 -83.72 -175.72 5.95 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.294 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.38 -32.42 64.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.27 -11.91 36.72 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.17 8.5 Favored Glycine 0 C--N 1.34 0.784 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.8 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' HB2' ' OD2' ' A' ' 74' ' ' ASP . 72.7 m-20 -88.27 140.25 29.67 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.6 0.36 . . . . 25.0 110.41 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.8 tt0 -72.88 114.56 11.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.991 -175.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.2 100.63 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.039 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.6 t -98.05 127.04 38.1 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.137 -0.938 . . . . 25.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.45 128.68 20.76 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 25.0 112.696 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.541 0.605 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.52 -173.478 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.533 0.206 . . . . 25.0 110.829 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 94.8 mtp -96.61 147.06 24.27 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.678 0.275 . . . . 25.0 111.186 -176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -137.66 126.62 24.17 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.692 174.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -83.87 144.58 29.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.972 0.415 . . . . 25.0 111.299 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.32 176.1 8.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.786 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -122.13 -15.59 7.7 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.517 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -142.36 143.6 32.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.85 0.46 . . . . 25.0 111.106 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 94' ' ' ARG . 30.2 mmt-85 -79.5 -18.39 52.08 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.87 -0.604 . . . . 25.0 112.251 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.9 -19.34 57.54 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.378 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.75 -62.21 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptp -46.14 -39.84 10.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.4 -25.06 62.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.253 -0.431 . . . . 25.0 111.785 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.15 -32.84 19.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.003 0.521 . . . . 25.0 111.954 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.08 -53.5 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -54.21 -41.43 68.63 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.999 0.92 . . . . 25.0 112.156 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -53.0 58.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.105 0.562 . . . . 25.0 111.411 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -60.96 -56.95 15.03 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.278 0.361 . . . . 25.0 110.17 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.7 mt -43.66 -58.56 2.61 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.944 0.898 . . . . 25.0 110.8 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -50.38 -31.57 15.13 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -84.01 -20.32 32.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.974 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.73 -44.83 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.392 0.677 . . . . 25.0 111.471 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.3 -33.09 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.2 0.2 . . . . 25.0 110.893 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.6 p -65.35 -19.12 65.81 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.754 0.659 . . . . 25.0 111.767 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.84 -41.14 30.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.624 0.37 . . . . 25.0 110.71 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -83.87 -1.67 54.91 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.348 -0.842 . . . . 25.0 111.229 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.9 tptt . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.157 178.722 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p . . . . . 0 C--O 1.235 0.318 0 CA-C-O 121.031 0.443 . . . . 25.0 111.119 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.63 -118.34 0.65 Allowed Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.808 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.29 126.65 13.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.618 0.367 . . . . 25.0 110.334 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.26 152.51 41.78 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.4 mt -111.06 137.31 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.253 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -141.83 118.82 11.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.593 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 63.42 41.12 7.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.826 0.85 . . . . 25.0 111.909 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.23 -8.3 0.87 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.648 1.179 . . . . 25.0 113.51 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -92.98 119.69 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -80.12 135.59 36.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.438 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.37 -158.72 8.49 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.215 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -126.58 137.54 57.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.068 -0.566 . . . . 25.0 109.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.88 137.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.586 -178.253 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.06 44.64 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.148 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -104.14 131.48 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.369 0.604 . . . . 25.0 110.771 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -98.91 105.31 17.44 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.026 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -122.94 167.72 13.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 69.59 5.47 5.2 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.628 0.771 . . . . 25.0 111.799 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.69 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 114.257 -1.338 . . . . 25.0 110.228 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -73.99 160.23 82.26 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 105.263 -2.125 . . . . 25.0 105.263 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -40.95 130.01 2.89 Favored 'Trans proline' 0 C--N 1.374 1.881 0 CA-C-N 122.32 1.864 . . . . 25.0 113.74 -139.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.44 139.09 20.52 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.043 -1.435 . . . . 25.0 113.3 -166.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.8 mt-10 -123.88 171.38 9.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 113.497 -1.683 . . . . 25.0 110.815 -169.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD11 HG12 ' A' ' 16' ' ' ILE . 25.7 tp -122.85 121.31 35.93 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.5 m -113.22 108.65 17.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.522 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.484 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.5 t90 -84.58 134.59 34.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.549 -0.75 . . . . 25.0 109.243 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.61 162.96 23.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.91 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.6 p -71.35 169.04 16.12 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -54.86 -30.34 57.54 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.61 0.596 . . . . 25.0 112.61 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.94 -31.35 11.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.551 170.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.86 18.79 11.81 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 115.641 -0.709 . . . . 25.0 113.92 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.2 p-10 -67.82 -29.68 68.9 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.73 0.412 . . . . 25.0 111.234 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -106.97 138.79 42.46 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.99 132.59 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 120.824 0.345 . . . . 25.0 111.775 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -127.39 148.83 50.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.586 -0.734 . . . . 25.0 109.542 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.93 143.3 50.84 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.127 0.489 . . . . 25.0 111.782 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 62' ' ' LEU . 46.7 t -129.85 107.48 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 114.998 -1.001 . . . . 25.0 109.447 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.7 120.98 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.606 HD11 HD22 ' A' ' 104' ' ' LEU . 2.7 mm? -74.89 -21.22 59.35 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -171.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -68.52 -3.64 12.3 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.267 0.556 . . . . 25.0 110.52 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.22 4.49 14.53 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.881 -1.054 . . . . 25.0 110.228 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -111.76 144.91 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.652 0.781 . . . . 25.0 109.769 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -114.19 -45.34 3.06 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.587 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 24.9 mtmm -132.17 168.42 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -176.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.94 129.03 14.56 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -130.03 114.58 15.97 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -114.18 154.86 27.11 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.52 123.6 89.73 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.666 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.3 165.56 7.16 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.94 2.427 . . . . 25.0 113.156 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.64 54.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.956 -0.565 . . . . 25.0 112.161 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.5 p -97.1 -17.22 20.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.023 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -70.92 140.6 51.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.653 -0.703 . . . . 25.0 112.765 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.666 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -59.73 -24.06 63.71 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.181 174.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.76 153.99 18.01 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.31 -1.313 . . . . 25.0 113.137 -169.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm -125.37 97.86 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.935 -1.029 . . . . 25.0 108.894 169.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.68 ' SD ' ' HB3' ' A' ' 88' ' ' MET . 4.4 ttm -156.04 154.43 31.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.606 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 49.2 tp -136.93 118.9 15.29 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.183 -0.917 . . . . 25.0 108.963 176.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 14.5 mtm180 -101.12 146.97 26.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.264 0.554 . . . . 25.0 111.824 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 22.1 mt -127.0 103.48 7.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.618 -1.173 . . . . 25.0 109.494 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 88.7 mt -84.95 129.62 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.78 -0.645 . . . . 25.0 109.576 -174.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.9 162.45 31.32 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.446 -0.797 . . . . 25.0 113.522 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.236 0.355 0 CA-C-O 121.245 0.545 . . . . 25.0 111.255 178.481 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -79.76 -18.8 50.2 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.803 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.32 23.22 1.34 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.235 0.614 . . . . 25.0 111.235 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HB3' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -48.02 135.6 12.52 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -173.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -104.77 156.27 18.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.975 -1.011 . . . . 25.0 110.501 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.73 140.93 52.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 25.0 109.694 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -80.08 -172.0 3.22 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.183 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.78 -31.77 62.89 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -89.97 -22.57 21.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 16.85 12.33 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.443 -0.408 . . . . 25.0 113.387 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -86.63 149.56 24.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.34 118.09 16.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 -173.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.18 99.94 6.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.104 -0.953 . . . . 25.0 109.144 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 71' ' ' LYS . 11.9 t -99.21 128.16 32.69 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.9 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -58.05 133.79 57.9 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.788 2.325 . . . . 25.0 112.943 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 115.363 -0.835 . . . . 25.0 112.139 -171.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 4.5 m80 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 120.639 0.257 . . . . 25.0 110.969 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.68 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 2.8 mtt -102.23 142.58 33.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.265 -175.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -133.49 126.52 31.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.386 -0.825 . . . . 25.0 109.829 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.6 m -83.39 146.23 28.57 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.841 0.353 . . . . 25.0 111.207 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -129.47 175.78 8.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.965 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -122.36 -14.92 7.77 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.623 -0.717 . . . . 25.0 110.922 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -143.38 143.83 31.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.789 0.436 . . . . 25.0 110.935 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.86 -18.38 47.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.549 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -76.98 -19.36 57.41 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.274 0.359 . . . . 25.0 111.112 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -82.3 -63.16 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.9 ptp -46.82 -39.63 12.27 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 102' ' ' MET . 92.9 m-20 -69.63 -26.92 64.65 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.475 0.484 . . . . 25.0 111.759 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -87.28 -30.84 20.58 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 123.447 0.467 . . . . 25.0 112.171 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -70.77 -54.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -52.18 -42.23 63.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.213 1.005 . . . . 25.0 112.166 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 53.1 ttm -53.98 -53.5 52.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.17 0.588 . . . . 25.0 111.603 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.97 -57.8 11.3 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.28 0.363 . . . . 25.0 110.189 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.54 -58.8 2.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.139 0.976 . . . . 25.0 111.161 176.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -50.35 -31.72 15.39 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.166 0.986 . . . . 25.0 113.534 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -82.34 -20.3 37.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.007 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.9 mt -83.06 -43.77 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.446 0.698 . . . . 25.0 111.616 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.37 -35.83 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.128 0.171 . . . . 25.0 111.089 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -63.7 -17.73 63.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.618 0.574 . . . . 25.0 111.743 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -78.14 -43.58 28.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.763 0.425 . . . . 25.0 110.906 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.46 -3.33 55.57 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.227 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.809 177.477 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 30.4 t . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.219 0.533 . . . . 25.0 112.09 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -156.12 -116.76 0.54 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 114.725 -1.125 . . . . 25.0 111.662 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.27 129.31 15.47 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 122.579 0.352 . . . . 25.0 110.519 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.72 149.96 36.48 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.74 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 64.1 mt -106.56 140.61 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -144.01 123.03 12.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 25.0 109.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 57.45 41.83 25.51 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.891 0.877 . . . . 25.0 112.061 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 70.85 -3.01 2.1 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.669 1.188 . . . . 25.0 113.027 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -92.06 122.3 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -81.14 132.27 35.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.125 -0.488 . . . . 25.0 110.212 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.97 -163.28 11.03 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.137 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -122.69 136.87 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 115.017 -0.592 . . . . 25.0 109.762 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.4 tt -100.43 140.38 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.167 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 146.2 45.54 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.016 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.32 140.23 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.571 0.7 . . . . 25.0 110.582 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.3 t-20 -110.26 99.48 8.51 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.045 -1.434 . . . . 25.0 110.612 -174.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.53 167.84 12.4 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.78 1.25 3.94 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.015 0.926 . . . . 25.0 110.541 -172.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -103.54 -172.68 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 114.635 -1.166 . . . . 25.0 110.096 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.03 161.59 77.78 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 106.214 -1.772 . . . . 25.0 106.214 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.96 129.36 4.21 Favored 'Trans proline' 0 C--N 1.372 1.802 0 CA-C-N 121.902 1.715 . . . . 25.0 113.255 -142.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.03 134.71 13.57 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.139 -1.391 . . . . 25.0 113.033 -165.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -130.89 139.63 50.13 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.941 -1.027 . . . . 25.0 112.951 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 62' ' ' LEU . 37.7 tp -95.69 109.14 21.46 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -102.76 107.07 17.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.084 -1.416 . . . . 25.0 110.54 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -84.5 136.5 33.79 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.518 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' HG13 ' A' ' 37' ' ' VAL . 82.3 mtm180 -127.88 159.91 33.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.215 174.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 86.6 p -70.85 169.14 15.29 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -28.07 61.22 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.722 0.692 . . . . 25.0 112.535 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -99.55 -29.99 12.4 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.291 -0.413 . . . . 25.0 109.985 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.42 18.64 20.73 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-N 115.584 -0.734 . . . . 25.0 113.63 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.35 -28.48 65.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.468 0.307 . . . . 25.0 110.595 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 73.6 tttt -109.98 128.19 55.24 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' A' ' 30' ' ' ARG . 45.8 t -139.25 128.38 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 116.297 -0.411 . . . . 25.0 111.486 -175.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.21 149.76 41.75 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.503 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.0 142.99 50.73 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.118 0.485 . . . . 25.0 111.506 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.7 t -132.02 106.95 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.225 -0.898 . . . . 25.0 109.955 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.43 117.25 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 104' ' ' LEU . 2.0 mm? -74.66 -18.3 60.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.68 -3.97 17.52 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.038 0.447 . . . . 25.0 110.779 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -115.1 7.89 15.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.24 -0.891 . . . . 25.0 110.139 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 32.5 mm -114.68 137.19 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.709 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -107.93 -42.04 4.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.397 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.8 mttt -132.99 170.28 15.6 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.69 126.12 10.12 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 90.9 mt-30 -127.32 117.95 23.23 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.506 0.194 . . . . 25.0 110.926 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.18 160.15 17.87 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.289 0.477 . . . . 25.0 112.289 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 57' ' ' LYS . 50.0 p -77.57 121.55 84.51 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.008 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.37 165.98 3.84 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.971 2.448 . . . . 25.0 113.344 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -10.87 60.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.704 -0.68 . . . . 25.0 112.03 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -99.34 -8.57 24.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.977 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -78.46 139.75 38.68 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.142 0.496 . . . . 25.0 112.116 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.758 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.1 mp0 -61.52 -16.69 49.91 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.977 -1.011 . . . . 25.0 111.791 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HB3' HG21 ' A' ' 51' ' ' THR . 40.2 mttm -99.39 157.29 16.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.654 -1.157 . . . . 25.0 112.977 -173.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.0 mtm -133.31 100.86 4.97 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.757 -1.11 . . . . 25.0 110.07 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.558 ' O ' ' SD ' ' A' ' 97' ' ' MET . 65.5 mtt -157.55 156.13 31.43 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.606 -1.179 . . . . 25.0 111.074 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 51.7 tp -135.6 118.57 16.34 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.166 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 88' ' ' MET . 62.9 mtt-85 -103.66 142.84 33.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.069 0.461 . . . . 25.0 111.606 -176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 66.7 mt -124.33 106.19 10.05 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.108 -178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -85.53 134.69 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.203 -173.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.7 159.94 27.28 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 115.886 -0.597 . . . . 25.0 113.878 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 C--O 1.237 0.444 0 CA-C-O 121.447 0.642 . . . . 25.0 112.105 179.234 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -80.4 -22.95 40.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.919 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.02 132.63 35.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.775 0.43 . . . . 25.0 111.357 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.9 128.03 43.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.689 -0.687 . . . . 25.0 111.391 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 36.4 ttp85 -111.98 153.15 27.23 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.927 -0.579 . . . . 25.0 109.674 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.62 140.76 51.61 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.359 -0.382 . . . . 25.0 109.98 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.25 -174.99 4.84 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.458 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.01 -31.95 69.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.22 -30.51 57.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.06 15.86 13.64 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.285 0.366 . . . . 25.0 113.358 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.8 149.39 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.441 0.296 . . . . 25.0 110.527 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.3 pm0 -76.27 109.66 10.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.332 0.587 . . . . 25.0 111.341 -174.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 99.5 t -117.38 119.6 62.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.918 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.0 127.17 41.85 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 119.365 -0.35 . . . . 25.0 110.569 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -66.0 126.5 15.96 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.937 2.425 . . . . 25.0 113.71 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 CA--C 1.551 0.996 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.581 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 93.9 m-70 . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.662 0.268 . . . . 25.0 110.675 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.548 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 65.7 ttp -99.95 142.15 31.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.178 -175.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.94 127.97 29.64 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.567 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.74 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.0 144.45 29.94 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.052 0.454 . . . . 25.0 111.464 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -128.67 173.61 10.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.612 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -122.73 -14.49 7.7 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.824 -0.626 . . . . 25.0 112.271 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -148.83 126.01 11.43 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 120.862 0.363 . . . . 25.0 110.926 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 -56.06 -21.81 24.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -72.87 -33.52 66.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.149 0.28 . . . . 25.0 111.062 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.35 -61.91 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.6 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.3 ttp -49.66 -26.52 3.76 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -84.68 -27.2 27.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.45 -30.83 42.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.462 0.305 . . . . 25.0 111.746 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.0 mm -75.32 -54.47 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -54.13 -41.75 68.73 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.781 0.832 . . . . 25.0 112.54 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.2 ttp -55.6 -54.26 46.28 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.32 0.387 . . . . 25.0 111.632 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -55.12 -58.09 9.06 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.273 0.358 . . . . 25.0 110.049 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.591 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.75 1.68 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.869 0.868 . . . . 25.0 110.863 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -52.76 -28.34 21.87 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.846 0.858 . . . . 25.0 113.077 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -86.31 -20.31 28.55 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.973 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 96.6 mt -83.69 -41.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 C-N-CA 123.4 0.68 . . . . 25.0 111.552 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.8 mt -70.24 -33.79 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.143 0.177 . . . . 25.0 110.933 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.84 -17.14 64.0 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.749 0.656 . . . . 25.0 111.587 174.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -79.93 -39.19 30.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.746 173.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 90.3 m-85 -86.78 -2.83 58.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.257 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 28.2 tptp . . . . . 0 CA--C 1.536 0.418 0 CA-C-N 115.43 -0.804 . . . . 25.0 110.066 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 84.6 p . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.02 0.438 . . . . 25.0 111.939 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -154.29 -112.44 0.46 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.066 -0.97 . . . . 25.0 111.729 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.23 127.96 10.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.641 0.376 . . . . 25.0 110.494 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.95 151.21 37.44 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.864 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 90.9 mt -109.82 141.03 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.507 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -148.67 115.42 5.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 12' ' ' VAL . 93.9 mt-10 61.87 52.34 3.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.562 0.745 . . . . 25.0 111.366 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt 55.56 3.47 0.08 Allowed 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.577 1.551 . . . . 25.0 114.258 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 10' ' ' GLU . 98.1 t -101.72 115.03 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 170.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.405 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -77.33 138.36 39.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.306 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -161.0 10.09 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.285 -0.87 . . . . 25.0 113.144 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -123.74 139.67 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 114.97 -0.615 . . . . 25.0 109.513 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 4' ' ' SER . 8.2 tt -100.86 137.07 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.409 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.24 145.81 44.04 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.382 0.426 . . . . 25.0 111.266 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.77 131.94 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.224 0.535 . . . . 25.0 110.265 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -100.69 106.15 17.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.67 -1.15 . . . . 25.0 111.19 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.73 167.77 12.57 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 72.17 2.72 4.42 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.89 0.876 . . . . 25.0 110.629 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 23' ' ' SER . 29.3 m -102.98 -172.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 114.677 -1.147 . . . . 25.0 110.336 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.3 p -73.39 159.76 84.06 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 171.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.96 129.82 2.9 Favored 'Trans proline' 0 C--N 1.374 1.882 0 CA-C-N 122.206 1.824 . . . . 25.0 113.692 -139.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.68 137.77 11.69 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.139 -1.392 . . . . 25.0 113.243 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 41' ' ' VAL . 9.4 mt-10 -124.47 172.09 9.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.566 -1.652 . . . . 25.0 111.195 -168.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.647 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.7 tp -125.76 109.98 13.2 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 172.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -110.01 110.34 21.23 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.167 -170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -85.49 134.11 34.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.478 -0.783 . . . . 25.0 109.57 170.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -128.3 156.89 42.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.776 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.4 p -68.02 168.34 12.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -56.74 -27.96 60.24 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.429 0.559 . . . . 25.0 112.359 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -99.95 -28.0 13.3 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.195 -0.457 . . . . 25.0 109.98 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.13 18.05 25.53 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.615 -0.721 . . . . 25.0 113.497 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -69.86 -29.73 67.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.594 0.358 . . . . 25.0 110.763 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 99.6 mttt -110.48 138.19 47.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.61 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.63 134.22 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-O 120.816 0.341 . . . . 25.0 111.781 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -127.75 145.99 50.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.381 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -129.32 129.19 44.52 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.03 0.443 . . . . 25.0 112.118 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.8 t -112.27 107.59 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.242 -0.89 . . . . 25.0 109.836 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.0 t -82.92 122.82 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.28 -23.45 57.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -170.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.459 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 94.8 p -67.38 -3.58 8.65 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.163 0.506 . . . . 25.0 110.922 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -114.93 4.33 14.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.889 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -113.31 141.97 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.297 -0.865 . . . . 25.0 109.587 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.25 -40.09 3.74 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.288 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 95.1 mttt -133.39 169.63 16.65 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -176.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.5 130.46 13.39 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.393 -0.821 . . . . 25.0 108.848 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -128.77 119.63 24.9 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.36 0.124 . . . . 25.0 110.865 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.0 149.69 34.98 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -67.65 120.0 70.14 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.359 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.12 164.13 5.38 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.732 2.288 . . . . 25.0 113.349 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.33 56.06 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.75 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.51 -9.91 26.25 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.606 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.42 138.19 37.53 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.883 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.2 mp0 -63.02 -15.61 57.03 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.204 -0.907 . . . . 25.0 111.938 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -97.29 153.3 18.13 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.704 -1.134 . . . . 25.0 113.203 -171.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.4 ' C ' ' HG3' ' A' ' 59' ' ' MET . 76.3 mtm -124.32 98.13 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.103 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.1 mtt -155.98 154.75 31.59 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.485 -175.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 40.8 tp -134.55 119.78 18.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.47 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -101.26 146.52 27.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.669 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -128.36 111.62 13.54 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.119 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 45' ' ' ILE . 49.6 mm -85.02 138.55 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 25.0 110.727 -174.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.12 157.25 24.04 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.183 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.451 0.643 . . . . 25.0 112.697 -178.782 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.6 p -77.95 -4.33 46.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.638 0.375 . . . . 25.0 111.751 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -92.2 34.36 1.03 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.296 0.638 . . . . 25.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -46.18 127.0 8.31 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.436 1.094 . . . . 25.0 113.294 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -107.71 151.78 25.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.972 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.13 143.67 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.284 0.365 . . . . 25.0 110.413 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -82.5 -169.46 2.46 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.765 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.37 -31.71 64.07 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.77 -21.1 21.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.5 17.57 13.33 Favored Glycine 0 C--N 1.342 0.875 0 C-N-CA 121.402 -0.428 . . . . 25.0 113.435 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -87.83 145.92 25.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 81' ' ' VAL . 29.2 tt0 -72.93 114.8 11.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 25.0 111.353 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 100.76 11.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.003 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.0 t -93.44 127.85 44.77 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.566 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -64.58 129.25 23.17 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.91 2.407 . . . . 25.0 112.236 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.347 -0.842 . . . . 25.0 112.696 -170.755 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 94.0 m-70 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 39.2 ttm -108.69 136.87 47.56 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.453 0.644 . . . . 25.0 111.944 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -117.92 165.72 13.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.187 -1.369 . . . . 25.0 108.794 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.864 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 70.1 m -117.94 145.23 44.84 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.917 0.389 . . . . 25.0 110.534 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.1 m-85 -128.71 175.56 8.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.053 -173.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.19 -13.96 7.12 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.958 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -143.28 143.54 31.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.652 0.381 . . . . 25.0 110.843 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -80.97 -18.68 46.14 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -77.93 -19.41 54.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.086 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.49 -62.13 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.75 -40.16 19.8 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.55 -25.25 63.01 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.464 0.478 . . . . 25.0 111.756 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.29 -32.94 19.42 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.536 0.522 . . . . 25.0 112.1 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.13 -53.2 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -52.78 -42.61 65.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.949 0.9 . . . . 25.0 111.963 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.2 ttp -52.14 -54.3 32.25 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.273 0.629 . . . . 25.0 111.777 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.9 m -59.96 -57.24 13.72 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 62' ' ' LEU . 95.8 mt -43.47 -58.63 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.134 0.974 . . . . 25.0 111.043 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -50.32 -32.74 17.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.069 0.948 . . . . 25.0 113.232 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -82.28 -20.33 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.185 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.618 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.0 mt -83.94 -41.29 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.332 0.653 . . . . 25.0 111.668 177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.562 HG13 HD13 ' A' ' 42' ' ' LEU . 58.4 mt -69.86 -35.6 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 120.495 0.188 . . . . 25.0 110.805 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -63.92 -18.31 64.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.773 -0.648 . . . . 25.0 111.756 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -77.3 -40.62 43.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.72 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 72.6 m-85 -86.04 -0.82 56.49 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.308 176.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 tptt . . . . . 0 CA--C 1.535 0.398 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.31 179.275 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.392 0 CA-C-O 120.925 0.393 . . . . 25.0 111.026 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 -113.98 0.66 Allowed Glycine 0 C--N 1.335 0.48 0 CA-C-N 115.247 -0.888 . . . . 25.0 111.959 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.99 125.33 9.44 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.694 0.398 . . . . 25.0 110.303 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.59 151.89 40.73 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.315 0.487 . . . . 25.0 112.315 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -110.27 138.19 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.305 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -140.87 116.28 10.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.841 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 62.68 42.31 8.39 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.908 0.883 . . . . 25.0 112.06 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm 70.07 -5.96 1.19 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.71 1.204 . . . . 25.0 113.928 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' HE2' ' A' ' 36' ' ' LYS . 78.6 t -95.21 116.96 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -79.22 137.86 37.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.439 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.53 -158.75 8.84 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.254 -0.885 . . . . 25.0 113.108 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -125.87 138.49 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.63 137.71 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.551 -178.118 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.46 139.71 40.78 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.368 0.417 . . . . 25.0 111.304 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 HD13 ' A' ' 27' ' ' LEU . 96.7 mt -97.55 132.71 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.031 0.443 . . . . 25.0 110.13 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -101.62 105.1 15.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.052 -0.976 . . . . 25.0 111.248 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.97 167.91 12.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.309 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.13 2.64 4.39 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 123.74 0.816 . . . . 25.0 111.65 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.91 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.031 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -73.5 165.84 49.36 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.39 129.08 3.42 Favored 'Trans proline' 0 C--N 1.376 1.998 0 CA-C-N 122.46 1.914 . . . . 25.0 113.228 -142.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.46 141.0 16.56 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.3 -1.318 . . . . 25.0 113.008 -165.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.54 172.06 10.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.767 -1.56 . . . . 25.0 111.225 -167.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD23 ' CD1' ' A' ' 62' ' ' LEU . 48.4 tp -127.19 107.73 10.27 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -107.97 109.6 21.12 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.165 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.563 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 86.4 t90 -85.85 133.5 33.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.624 171.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -126.68 157.27 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.565 -0.743 . . . . 25.0 109.73 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.6 p -67.8 169.32 9.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -57.0 -28.24 62.26 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.99 -28.74 12.92 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.963 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.22 18.25 24.73 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.618 -0.719 . . . . 25.0 113.647 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' A' ' 31' ' ' SER . 12.8 p-10 -70.61 -30.91 67.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.536 0.334 . . . . 25.0 110.615 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.6 mttp -105.22 137.67 42.63 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.51 134.05 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-O 120.786 0.327 . . . . 25.0 111.76 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -128.75 146.45 50.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.651 -0.704 . . . . 25.0 109.566 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.01 127.29 41.32 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.892 0.377 . . . . 25.0 111.834 -175.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.6 t -110.97 107.66 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.347 -0.842 . . . . 25.0 110.106 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.8 t -82.05 122.63 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.31 -23.27 59.04 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -171.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.9 p -66.83 -10.87 52.56 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.849 0.357 . . . . 25.0 111.364 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -115.2 13.52 16.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.699 173.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' ILE . 25.3 mm -109.6 142.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.402 -0.817 . . . . 25.0 108.801 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.54 -48.69 2.99 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.284 0.365 . . . . 25.0 111.673 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.9 mttt -131.67 170.11 15.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 122.565 0.346 . . . . 25.0 110.794 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 104' ' ' LEU . 61.7 mt -146.72 132.6 19.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -129.57 114.37 15.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.83 0.308 . . . . 25.0 111.83 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.2 156.0 26.15 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.884 HG21 ' HA ' ' A' ' 58' ' ' MET . 10.4 t -71.22 123.78 89.91 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 123.242 0.617 . . . . 25.0 111.693 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 42.3 Cg_exo -59.22 164.63 10.24 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.728 2.285 . . . . 25.0 113.066 174.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.98 58.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.998 -0.546 . . . . 25.0 112.032 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -94.52 -17.41 22.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.092 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 44.5 t -72.15 140.27 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.64 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.656 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.16 -16.99 64.11 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.012 -0.995 . . . . 25.0 111.87 176.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -95.46 156.56 16.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.904 -172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.884 ' HA ' HG21 ' A' ' 51' ' ' THR . 71.7 mtm -128.33 98.18 4.98 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.059 -0.973 . . . . 25.0 109.046 169.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.544 ' H ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -156.54 155.21 31.54 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.524 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.76 118.43 14.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.047 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -104.21 142.46 34.48 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.291 0.567 . . . . 25.0 111.798 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 27' ' ' LEU . 13.7 mt -121.12 105.73 10.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 45' ' ' ILE . 81.6 mt -86.15 135.97 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.891 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.52 165.59 26.16 Favored Glycine 0 C--N 1.336 0.535 0 CA-C-N 115.728 -0.669 . . . . 25.0 113.746 -173.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.235 0.33 0 C-N-CA 122.92 0.488 . . . . 25.0 110.915 178.737 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -75.46 -7.23 53.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.811 0.339 . . . . 25.0 111.705 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.57 36.1 1.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.713 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -45.39 122.24 3.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.086 0.955 . . . . 25.0 112.854 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -103.1 154.11 19.62 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.853 -1.067 . . . . 25.0 109.905 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.74 146.73 50.11 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.272 0.357 . . . . 25.0 110.11 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -88.22 -168.56 2.25 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.782 -0.645 . . . . 25.0 111.784 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.2 -31.72 65.74 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -91.28 -22.13 20.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.61 25.0 7.11 Favored Glycine 0 C--N 1.34 0.767 0 C-N-CA 121.525 -0.369 . . . . 25.0 113.3 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -93.35 145.65 24.31 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.6 tt0 -72.49 112.25 8.38 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.051 0.453 . . . . 25.0 111.356 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.48 101.15 12.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.107 -0.952 . . . . 25.0 109.306 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.6 t -91.59 127.93 48.5 Favored Pre-proline 0 CA--C 1.551 1.01 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.524 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.69 133.69 46.64 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.089 2.526 . . . . 25.0 113.504 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.552 1.049 0 CA-C-N 114.607 -1.179 . . . . 25.0 111.507 -177.502 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 15.3 m80 . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 120.68 0.276 . . . . 25.0 111.14 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.5 mtt -99.9 141.13 33.12 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.965 0.412 . . . . 25.0 111.275 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' TRP . 67.5 m-85 -132.83 127.23 34.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.4 -0.818 . . . . 25.0 109.702 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 75.8 m -83.5 145.01 29.16 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.858 0.361 . . . . 25.0 111.244 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -128.66 175.9 8.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.856 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -123.33 -14.2 7.48 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.619 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -143.54 143.63 31.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.789 0.436 . . . . 25.0 110.944 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.9 mmt180 -79.39 -18.35 52.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.592 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.79 -21.54 54.99 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.227 0.329 . . . . 25.0 111.153 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.99 -62.5 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.01 -39.93 13.56 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 102' ' ' MET . 87.6 m-20 -71.46 -24.85 62.08 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.562 0.539 . . . . 25.0 111.753 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.17 -33.87 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.793 0.437 . . . . 25.0 112.028 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.0 mm -68.33 -54.43 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 104' ' ' LEU . 87.9 tttt -53.55 -41.35 66.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.129 0.972 . . . . 25.0 112.289 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 54.4 ttm -54.41 -51.77 63.85 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.49 0.494 . . . . 25.0 111.52 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.9 m -60.48 -58.57 7.93 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 175.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 75.3 mt -43.77 -59.33 2.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.065 0.946 . . . . 25.0 110.969 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -49.21 -32.88 11.3 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.97 -20.33 33.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.038 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.84 -43.32 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.263 0.625 . . . . 25.0 111.604 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.2 mt -70.34 -36.45 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.108 0.163 . . . . 25.0 110.964 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.9 p -63.44 -17.49 62.74 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.684 0.615 . . . . 25.0 112.132 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -78.62 -43.66 25.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.335 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.42 -1.03 39.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.383 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 6.2 mmtp . . . . . 0 CA--C 1.537 0.449 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.289 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.916 0.388 . . . . 25.0 111.727 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -164.05 -119.34 0.48 Allowed Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.958 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.72 127.18 15.96 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.583 0.353 . . . . 25.0 110.634 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -142.88 153.63 43.33 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 13' ' ' SER . 84.2 mt -111.85 139.2 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 115.884 -0.598 . . . . 25.0 109.402 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -144.72 122.4 11.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 62.9 38.63 11.18 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.73 0.812 . . . . 25.0 112.122 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 68.72 -5.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.588 1.155 . . . . 25.0 113.444 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.592 HG11 ' HD2' ' A' ' 36' ' ' LYS . 72.2 t -93.63 118.75 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 173.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -79.87 136.88 36.78 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.184 -176.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.71 -157.2 7.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.166 -0.925 . . . . 25.0 113.277 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 5' ' ' GLY . 84.2 mt -126.84 137.15 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.913 -0.643 . . . . 25.0 109.64 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.75 133.93 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.512 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 139.08 41.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.905 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.33 130.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 122.118 0.961 . . . . 25.0 111.302 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.88 105.93 17.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 112.923 -1.944 . . . . 25.0 112.089 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -126.47 168.23 14.52 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.564 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 73.57 0.97 3.81 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.164 0.986 . . . . 25.0 110.743 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.35 -171.44 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 114.717 -1.128 . . . . 25.0 110.136 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -72.8 162.65 73.31 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 172.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.27 128.77 3.22 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 121.933 1.726 . . . . 25.0 113.194 -139.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.42 135.14 18.15 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.093 -1.412 . . . . 25.0 113.029 -166.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.2 mt-10 -121.44 171.66 8.62 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.411 -1.722 . . . . 25.0 110.97 -169.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.3 tp -126.3 111.16 14.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 174.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -108.12 111.15 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.323 -171.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -85.4 140.04 31.07 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.43 169.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.5 mtm180 -133.68 159.61 40.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.951 -1.022 . . . . 25.0 109.27 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 89.6 p -77.9 165.09 24.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.16 -0.448 . . . . 25.0 109.794 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.8 m -54.92 -31.85 60.59 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -97.07 -29.57 13.55 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.212 -0.449 . . . . 25.0 109.912 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.3 17.92 18.5 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.636 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.7 p-10 -69.47 -24.97 63.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.69 0.396 . . . . 25.0 111.497 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.592 ' HD2' HG11 ' A' ' 12' ' ' VAL . 16.7 mttp -116.51 138.79 51.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.944 -0.571 . . . . 25.0 109.802 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.21 125.92 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 CA-C-N 116.453 -0.339 . . . . 25.0 111.081 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -120.31 147.36 45.11 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.719 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.55 130.47 45.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.986 0.422 . . . . 25.0 112.042 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.5 t -114.44 107.54 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.329 -0.851 . . . . 25.0 110.035 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.1 t -81.22 121.56 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.78 -23.12 55.89 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -171.064 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -67.71 -1.47 5.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.135 0.493 . . . . 25.0 111.005 174.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -115.01 0.1 13.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.144 -0.935 . . . . 25.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.5 mm -108.42 141.46 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.763 0.825 . . . . 25.0 109.841 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -107.83 -51.1 2.95 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.485 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.87 170.24 15.15 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.801 0.44 . . . . 25.0 110.519 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.96 133.99 20.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -131.19 121.41 24.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.484 0.183 . . . . 25.0 111.184 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.57 153.33 30.29 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -67.95 121.71 80.9 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.956 -0.566 . . . . 25.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.33 162.62 5.68 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.8 2.334 . . . . 25.0 113.247 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.57 -8.99 58.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.804 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -93.52 -17.11 23.76 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.863 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -74.06 136.84 43.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.713 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -60.09 -25.0 65.08 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.746 -1.116 . . . . 25.0 111.937 175.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -85.47 152.77 22.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.248 -1.342 . . . . 25.0 113.268 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -124.64 97.93 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.909 -1.041 . . . . 25.0 108.97 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.522 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 89.3 mtp -155.84 153.97 30.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.484 -175.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 6.6 tp -133.72 119.78 19.75 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.285 -0.87 . . . . 25.0 109.284 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -100.63 145.83 27.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.169 0.509 . . . . 25.0 111.715 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.4 mm? -125.97 102.5 7.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.939 -1.028 . . . . 25.0 109.847 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 45' ' ' ILE . 34.9 mt -85.3 133.19 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.781 -175.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.0 168.8 29.01 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.732 -0.667 . . . . 25.0 113.998 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.004 -0.598 . . . . 25.0 110.857 177.749 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.17 -14.65 60.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.857 0.361 . . . . 25.0 111.672 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -96.7 40.49 1.13 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.776 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -44.64 118.34 1.55 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.469 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 35.0 mtp-105 -102.9 152.11 21.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.717 -1.129 . . . . 25.0 110.262 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -126.37 144.12 50.93 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.129 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -84.71 -169.03 2.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.911 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.81 -31.55 64.81 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.98 -23.94 21.39 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 18.42 10.36 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.517 -0.373 . . . . 25.0 113.335 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -89.04 148.47 23.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.478 0.311 . . . . 25.0 110.234 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -72.25 116.03 12.2 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.472 . . . . 25.0 111.624 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 60.9 t -118.65 100.74 10.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.05 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.4 t -91.24 128.28 47.88 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.31 -172.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.88 132.74 46.62 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 123.062 2.508 . . . . 25.0 113.209 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 CA--C 1.55 0.968 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.455 -175.942 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 98.0 m-70 . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.776 0.322 . . . . 25.0 110.476 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.5 mtp -105.89 135.94 46.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.371 0.605 . . . . 25.0 111.321 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -115.73 165.63 12.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.497 -1.229 . . . . 25.0 108.977 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 145.45 45.13 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.722 0.296 . . . . 25.0 110.459 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.2 m-85 -129.11 175.7 8.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.793 -0.639 . . . . 25.0 112.126 -172.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -123.27 -15.75 7.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.046 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.77 143.68 32.3 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.788 0.435 . . . . 25.0 110.91 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -18.24 50.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.54 -19.21 58.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.276 0.36 . . . . 25.0 111.132 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.03 -62.88 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.5 ptp -47.04 -39.3 12.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' MET . 96.0 m-20 -70.46 -26.36 63.6 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.443 0.464 . . . . 25.0 111.744 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.08 -31.05 20.68 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 25.0 112.123 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.81 -53.59 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 172.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.0 tttt -51.64 -44.28 62.91 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.073 0.949 . . . . 25.0 111.906 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 48.7 ttm -53.47 -52.42 59.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.234 0.614 . . . . 25.0 111.534 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.26 -59.58 5.24 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.35 0.406 . . . . 25.0 110.085 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 62' ' ' LEU . 80.5 mt -43.86 -57.54 3.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.357 1.063 . . . . 25.0 111.218 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -50.98 -32.98 22.78 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.329 1.052 . . . . 25.0 113.362 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -81.2 -19.98 42.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.125 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.679 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.9 mt -81.91 -42.72 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 123.366 0.666 . . . . 25.0 111.703 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -72.24 -35.96 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 122.099 0.159 . . . . 25.0 111.138 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.576 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 85.6 p -62.71 -17.06 60.08 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.608 0.567 . . . . 25.0 111.875 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.75 -42.31 24.83 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.596 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -81.73 0.16 40.25 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.705 -0.68 . . . . 25.0 111.43 175.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.2 mmtp . . . . . 0 CA--C 1.535 0.369 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.278 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.352 0 CA-C-O 120.882 0.373 . . . . 25.0 111.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -115.36 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.284 -0.871 . . . . 25.0 112.016 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.71 127.53 13.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.629 0.372 . . . . 25.0 110.621 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.54 152.74 41.82 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.79 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -111.54 139.25 36.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.688 -0.687 . . . . 25.0 109.217 176.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -142.18 115.93 9.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.692 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 60.94 46.24 8.7 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.929 0.871 . . . . 25.0 111.728 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 68.22 -5.42 0.9 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.638 173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.441 HG11 ' HD2' ' A' ' 36' ' ' LYS . 42.0 t -95.47 119.7 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HA ' HG12 ' A' ' 8' ' ' ILE . 12.4 t -80.81 136.56 36.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.433 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.51 -159.76 9.08 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.086 -0.961 . . . . 25.0 113.106 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.66 137.76 56.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.1 tt -100.68 137.45 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.543 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.38 141.88 41.74 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.464 0.477 . . . . 25.0 111.271 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.11 132.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.111 0.482 . . . . 25.0 110.319 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -101.64 107.94 19.34 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.043 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.16 167.69 12.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.15 4.35 4.8 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.659 0.784 . . . . 25.0 111.832 -172.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -101.81 -172.34 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 114.305 -1.316 . . . . 25.0 110.211 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.53 158.51 86.33 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 105.358 -2.09 . . . . 25.0 105.358 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -40.39 130.15 2.44 Favored 'Trans proline' 0 C--N 1.374 1.889 0 CA-C-N 122.064 1.773 . . . . 25.0 113.981 -139.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.56 137.71 8.72 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.96 -1.473 . . . . 25.0 113.36 -168.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG2' HG22 ' A' ' 41' ' ' VAL . 15.8 mt-10 -123.35 172.08 8.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 113.508 -1.678 . . . . 25.0 111.14 -168.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 35.6 tp -128.7 106.12 8.73 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -106.57 112.09 24.93 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.26 -171.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -87.52 131.69 34.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.487 -0.778 . . . . 25.0 109.524 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 37' ' ' VAL . 89.3 mtm180 -126.6 156.72 40.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.484 -0.78 . . . . 25.0 109.645 174.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 90.6 p -66.77 169.29 8.17 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 119.378 -0.344 . . . . 25.0 110.232 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -29.69 59.59 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.8 -31.04 11.72 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.164 -0.471 . . . . 25.0 109.923 170.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.92 18.28 12.72 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.703 -0.681 . . . . 25.0 113.834 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.9 p-10 -70.09 -31.28 68.78 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.531 0.333 . . . . 25.0 110.838 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 62.4 mttp -104.65 137.54 42.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.522 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -145.32 135.27 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 N-CA-C 111.977 0.362 . . . . 25.0 111.977 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -130.24 146.33 51.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.392 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.04 127.97 42.66 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.784 0.326 . . . . 25.0 111.811 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.2 t -112.13 107.4 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.124 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -81.89 121.13 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.765 HD11 HD22 ' A' ' 104' ' ' LEU . 3.4 mm? -75.37 -20.59 58.89 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -171.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.2 -3.5 13.9 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.225 0.536 . . . . 25.0 110.561 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -115.53 2.32 13.8 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.878 -1.056 . . . . 25.0 110.376 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -109.42 142.43 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.645 0.778 . . . . 25.0 109.699 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -110.19 -46.25 3.47 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.022 -0.536 . . . . 25.0 111.699 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.1 mttt -133.21 174.34 10.49 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.958 0.409 . . . . 25.0 111.866 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.53 129.74 12.77 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -125.78 116.51 21.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.479 0.18 . . . . 25.0 110.79 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.19 150.77 29.04 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -69.76 121.58 83.05 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 123.024 0.53 . . . . 25.0 111.279 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.51 162.63 6.01 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.821 2.348 . . . . 25.0 113.294 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.731 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.03 -9.67 58.71 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.925 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p -95.6 -18.06 20.87 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.196 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.57 139.29 49.36 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.305 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.694 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -63.16 -15.74 57.82 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.015 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -98.15 153.64 18.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.161 -172.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.9 mtt -125.92 98.64 5.6 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.13 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 61.1 mtt -156.03 157.03 35.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.365 -174.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HB3' ' HE1' ' A' ' 91' ' ' PHE . 13.8 tp -136.68 118.39 15.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.339 -0.846 . . . . 25.0 108.986 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -101.32 145.2 29.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.116 0.484 . . . . 25.0 111.789 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.3 mm? -128.07 106.26 8.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.994 -1.003 . . . . 25.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 47' ' ' LYS . 82.2 mt -86.77 138.08 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -175.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 165.2 32.82 Favored Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.035 -0.529 . . . . 25.0 113.52 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.236 0.372 0 CA-C-O 121.598 0.713 . . . . 25.0 112.536 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -83.66 -15.82 47.44 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -84.11 35.01 0.52 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.506 0.722 . . . . 25.0 111.248 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -45.76 125.52 6.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.043 0.937 . . . . 25.0 113.272 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -98.49 150.31 21.8 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.518 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.72 143.2 51.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.104 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -85.05 -168.95 2.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.652 -0.703 . . . . 25.0 111.754 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.86 -31.76 65.13 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.95 -19.62 22.24 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.141 0.423 . . . . 25.0 112.141 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.24 18.89 12.35 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.427 -0.416 . . . . 25.0 113.384 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.56 145.92 26.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 81' ' ' VAL . 47.4 tt0 -74.6 113.8 12.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.186 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.51 101.03 11.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.213 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 84.7 t -94.14 127.66 43.95 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.848 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -63.55 131.53 32.01 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.914 2.41 . . . . 25.0 112.347 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.67 -170.716 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 7.2 m80 . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 120.764 0.316 . . . . 25.0 110.688 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 66.2 ttp -102.08 140.31 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.087 -0.506 . . . . 25.0 110.933 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 59' ' ' MET . 90.9 m-85 -131.68 130.4 41.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.802 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.79 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 40.0 m -84.18 143.74 29.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.102 0.477 . . . . 25.0 111.301 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 23.7 m-85 -127.4 175.58 8.1 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.241 -0.89 . . . . 25.0 111.547 -173.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -123.82 -17.64 6.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.163 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.39 128.63 16.75 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.678 0.275 . . . . 25.0 110.839 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.731 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.1 ptm180 -61.4 -18.32 58.25 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -74.9 -27.07 60.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.623 0.369 . . . . 25.0 111.452 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -82.22 -63.06 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 14.3 ptp -47.23 -29.49 2.42 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.328 1.051 . . . . 25.0 113.542 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -78.84 -35.2 44.38 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.097 0.248 . . . . 25.0 111.111 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.29 -32.14 58.6 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.568 0.543 . . . . 25.0 112.216 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.91 -54.0 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 104' ' ' LEU . 88.1 tttt -51.52 -43.09 62.18 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.887 0.875 . . . . 25.0 112.051 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.49 -50.74 69.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.177 0.591 . . . . 25.0 111.544 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -62.16 -57.67 10.64 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.277 0.361 . . . . 25.0 110.119 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.765 HD22 HD11 ' A' ' 42' ' ' LEU . 75.9 mt -43.49 -59.39 2.17 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.947 0.899 . . . . 25.0 110.797 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.1 -30.68 11.57 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.23 1.012 . . . . 25.0 113.508 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.11 -20.67 28.34 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.2 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 97.0 mt -82.29 -42.27 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.288 0.635 . . . . 25.0 111.657 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -69.16 -35.9 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 117.802 0.274 . . . . 25.0 110.769 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.5 p -63.93 -16.84 62.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.759 0.662 . . . . 25.0 111.533 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -78.61 -40.64 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.256 -0.429 . . . . 25.0 110.638 172.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -86.64 -3.23 59.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.321 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 55.9 tptt . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.934 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.855 0.36 . . . . 25.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -113.44 0.35 Allowed Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.415 -0.811 . . . . 25.0 111.956 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.1 128.35 12.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.614 0.366 . . . . 25.0 110.468 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.75 153.11 41.34 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -112.19 140.58 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.355 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -143.43 120.85 11.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.717 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 61.68 40.52 13.13 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.785 0.834 . . . . 25.0 112.086 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm 69.24 -3.98 1.41 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.59 1.156 . . . . 25.0 113.645 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.617 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.9 t -96.99 119.51 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -81.63 140.92 34.12 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.518 -175.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -157.2 -156.19 7.8 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.96 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.8 mt -126.55 139.34 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.037 -0.582 . . . . 25.0 109.66 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.66 136.84 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.392 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.596 0.56 . . . . 25.0 111.006 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.14 140.98 17.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.99 0.9 . . . . 25.0 110.6 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.2 t-20 -109.66 100.09 9.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.166 -1.833 . . . . 25.0 110.76 -173.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.41 167.54 12.68 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 72.45 2.26 4.27 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.984 0.913 . . . . 25.0 110.589 -172.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.64 -173.25 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.666 -1.152 . . . . 25.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.63 160.32 81.29 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 170.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.04 130.05 4.39 Favored 'Trans proline' 0 C--N 1.376 2.008 0 CA-C-N 122.305 1.859 . . . . 25.0 113.549 -140.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -47.19 131.98 12.7 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 114.09 -1.414 . . . . 25.0 112.967 -167.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 26.3 pt-20 -128.35 140.58 51.78 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.025 -0.989 . . . . 25.0 113.172 -173.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 45.7 tp -96.82 104.95 17.0 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -176.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.8 m -104.18 109.45 21.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.22 -1.355 . . . . 25.0 111.294 -169.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -84.95 135.77 33.9 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.432 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 mtp180 -128.27 151.08 49.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 25.0 109.807 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.671 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.32 159.17 33.62 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.94 -0.573 . . . . 25.0 109.461 173.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.66 -20.56 5.49 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -101.14 -31.31 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.383 0.427 . . . . 25.0 110.783 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 17.27 31.34 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.57 -0.741 . . . . 25.0 113.077 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -76.07 -28.89 57.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 59.6 mttp -105.3 139.09 40.46 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.458 173.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.08 131.29 5.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-O 120.902 0.382 . . . . 25.0 111.816 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -123.62 145.44 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.42 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 128.52 43.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 95.0 t -114.08 107.54 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.562 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -79.52 117.98 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 104' ' ' LEU . 2.3 mm? -75.86 -17.56 59.76 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -171.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -69.37 -3.99 16.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.152 0.501 . . . . 25.0 110.438 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.6 -1.56 12.71 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.728 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.0 mm -104.13 147.83 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.574 0.75 . . . . 25.0 109.962 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.95 -47.37 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.46 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 60.0 mttp -131.22 168.05 18.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.57 129.22 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.245 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.838 ' HG3' HH21 ' A' ' 61' ' ' ARG . 91.5 mm-40 -127.29 114.85 18.15 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -175.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.05 150.49 31.94 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 p -67.73 120.3 72.53 Favored Pre-proline 0 N--CA 1.477 0.906 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.183 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.67 159.84 6.2 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.868 2.379 . . . . 25.0 113.141 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.59 -4.71 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.032 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -100.24 -17.87 17.13 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.04 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -69.58 140.29 53.77 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.253 0.621 . . . . 25.0 112.66 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -64.38 -14.77 58.34 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.173 -0.922 . . . . 25.0 112.154 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.9 150.03 20.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.673 -1.149 . . . . 25.0 112.902 -171.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.5 mmm -122.01 98.31 5.88 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.101 168.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 64.5 mtp -157.21 156.39 32.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.337 -175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.06 118.39 14.63 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.351 -0.841 . . . . 25.0 108.982 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.838 HH21 ' HG3' ' A' ' 49' ' ' GLN . 58.8 ttp180 -101.53 142.98 32.08 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.031 0.443 . . . . 25.0 111.609 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -124.0 108.63 12.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.158 -0.928 . . . . 25.0 110.094 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 61.7 mt -89.1 133.43 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.804 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.76 164.96 30.5 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.89 -0.595 . . . . 25.0 113.641 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.466 0.363 0 C-N-CA 122.971 0.508 . . . . 25.0 111.312 178.885 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.5 p -76.9 -10.8 59.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.835 0.35 . . . . 25.0 111.604 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -94.5 37.67 1.12 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.688 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.04 121.15 2.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.096 0.959 . . . . 25.0 112.744 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -100.88 151.74 21.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.635 -1.166 . . . . 25.0 109.897 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.87 142.62 51.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.299 0.374 . . . . 25.0 110.301 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -84.35 -169.42 2.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.931 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.27 -31.5 63.67 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.46 -20.81 23.44 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.003 0.372 . . . . 25.0 112.003 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.05 19.35 12.87 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.61 -0.328 . . . . 25.0 113.055 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -90.77 147.21 23.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 122.608 0.363 . . . . 25.0 110.173 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.0 tt0 -72.11 114.55 10.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.105 0.479 . . . . 25.0 111.636 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.29 101.21 11.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.176 -0.92 . . . . 25.0 109.253 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.1 t -91.63 129.08 43.9 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 115.469 -0.787 . . . . 25.0 111.592 -172.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_exo -59.59 134.3 57.09 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.163 2.575 . . . . 25.0 113.357 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.553 1.07 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.727 -175.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m-70 . . . . . 0 N--CA 1.471 0.58 0 CA-C-O 120.665 0.269 . . . . 25.0 110.555 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.89 139.1 37.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.898 0.38 . . . . 25.0 111.376 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -130.65 129.6 42.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.757 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -84.41 144.7 28.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.96 0.41 . . . . 25.0 111.234 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -128.13 176.23 7.81 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.413 -0.812 . . . . 25.0 111.741 -173.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -122.31 -17.65 7.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.963 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -141.49 143.5 33.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.955 0.407 . . . . 25.0 111.13 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 1.026 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 ttt180 -75.21 -28.07 59.83 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.439 -0.801 . . . . 25.0 112.092 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -71.05 -22.03 62.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.391 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.0 t -80.58 -62.68 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptp -46.11 -40.91 11.63 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.781 0.66 . . . . 25.0 112.781 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -69.53 -31.28 69.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.53 0.519 . . . . 25.0 111.779 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.43 -33.18 28.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mm -69.3 -52.63 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 172.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -53.96 -43.11 69.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.787 0.835 . . . . 25.0 111.827 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 ttp -53.34 -51.87 61.04 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.15 0.58 . . . . 25.0 111.497 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.3 m -59.88 -59.87 4.74 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.395 0.434 . . . . 25.0 109.959 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.1 -59.47 2.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.311 1.045 . . . . 25.0 111.066 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -49.26 -33.92 13.99 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.115 0.966 . . . . 25.0 113.421 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -81.6 -19.86 41.0 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.182 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 95.8 mt -85.12 -42.53 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.638 0.775 . . . . 25.0 112.068 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.24 -50.37 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 111.884 0.328 . . . . 25.0 111.884 -173.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.5 p -65.46 -16.11 63.32 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.57 -43.22 94.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 120.994 0.426 . . . . 25.0 110.808 169.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -76.95 -11.17 59.77 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.046 -0.979 . . . . 25.0 112.271 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.2 tptp . . . . . 0 N--CA 1.472 0.657 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.17 176.692 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.7 p . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.985 0.422 . . . . 25.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.66 -117.47 0.66 Allowed Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.12 -0.946 . . . . 25.0 112.07 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.35 125.95 11.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.722 0.409 . . . . 25.0 110.246 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.83 154.6 44.33 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -176.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 83.8 mt -112.51 137.87 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.329 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -143.71 122.69 12.8 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.708 -0.678 . . . . 25.0 109.512 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 62.49 39.01 12.2 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.735 0.814 . . . . 25.0 112.023 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 69.49 -6.18 1.03 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.636 1.174 . . . . 25.0 113.291 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.74 121.81 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 t -81.71 141.28 33.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.545 -175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.37 -157.09 8.28 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.311 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.76 140.02 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -0.61 . . . . 25.0 109.635 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.501 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.51 138.36 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.671 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.21 43.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.359 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.2 mt -104.37 134.07 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.114 0.483 . . . . 25.0 109.898 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -104.94 106.29 16.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.001 -0.999 . . . . 25.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -121.07 167.95 12.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.426 174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 71.07 3.09 4.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.822 0.849 . . . . 25.0 111.754 -171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.6 -172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.332 -1.303 . . . . 25.0 109.808 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -73.19 163.92 64.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.027 -1.842 . . . . 25.0 106.027 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.45 129.5 3.52 Favored 'Trans proline' 0 C--N 1.373 1.865 0 CA-C-N 122.098 1.785 . . . . 25.0 113.426 -142.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.86 141.09 13.92 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.219 -1.355 . . . . 25.0 113.188 -165.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -125.27 172.42 9.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.81 -1.541 . . . . 25.0 111.386 -166.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.642 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -129.08 108.22 10.21 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 173.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -107.21 111.66 24.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.252 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -86.6 137.96 32.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.671 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 73.5 mtp180 -128.09 154.97 45.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.244 -0.889 . . . . 25.0 109.899 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.655 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.0 p -72.49 159.78 33.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.85 -20.79 6.37 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.705 1.002 . . . . 25.0 113.705 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -101.28 -31.59 10.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.351 0.407 . . . . 25.0 110.286 171.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 17.69 28.84 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 115.45 -0.796 . . . . 25.0 113.319 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.44 -30.18 61.79 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 122.79 0.436 . . . . 25.0 110.622 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.655 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.4 mttp -103.76 137.69 41.43 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.292 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.17 135.92 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 120.864 0.364 . . . . 25.0 111.807 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -130.53 145.47 51.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.602 -0.727 . . . . 25.0 109.488 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.36 128.89 43.99 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.001 0.429 . . . . 25.0 111.994 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.7 t -112.17 108.26 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 115.247 -0.888 . . . . 25.0 110.06 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.4 t -81.69 123.1 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -75.24 -21.86 58.3 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -171.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.99 -9.68 47.5 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.877 0.37 . . . . 25.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -115.23 14.09 16.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.592 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.4 mm -111.29 142.23 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.17 175.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -109.49 -52.93 2.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.657 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -131.57 174.5 10.04 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 122.577 0.351 . . . . 25.0 110.864 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.22 132.95 14.93 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -129.7 114.58 16.16 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.949 0.352 . . . . 25.0 111.949 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -116.04 154.25 30.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.23 122.86 88.54 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.71 166.36 8.37 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.884 2.389 . . . . 25.0 113.216 173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.79 -10.2 59.29 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.205 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.4 -8.63 29.02 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.814 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -77.97 142.03 38.58 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 121.464 0.65 . . . . 25.0 112.733 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.659 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 7.4 mp0 -60.52 -23.66 64.74 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.434 -1.257 . . . . 25.0 112.285 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.6 154.51 17.18 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.338 -1.301 . . . . 25.0 113.178 -169.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.9 mtm -126.04 97.58 5.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.035 -0.984 . . . . 25.0 108.789 168.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -156.24 157.46 35.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.614 -173.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 43.0 tp -138.19 118.54 13.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.891 175.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -99.96 144.75 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.059 0.457 . . . . 25.0 110.683 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -123.82 102.32 7.74 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.186 -0.915 . . . . 25.0 109.705 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 45' ' ' ILE . 97.4 mt -85.14 131.33 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 115.126 -0.943 . . . . 25.0 109.543 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.01 163.7 26.96 Favored Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.617 -0.72 . . . . 25.0 114.12 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.236 0.369 0 CA-C-N 115.16 -0.52 . . . . 25.0 111.14 176.849 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.9 p -79.02 0.53 27.36 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.559 0.344 . . . . 25.0 111.657 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.43 29.9 1.21 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.135 0.574 . . . . 25.0 111.173 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -46.73 119.05 2.27 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.065 0.946 . . . . 25.0 112.869 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -103.48 155.26 18.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.093 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.07 144.33 51.05 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.748 0.309 . . . . 25.0 110.203 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.74 -168.91 2.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.815 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.89 -31.53 64.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.01 -20.19 24.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.032 0.382 . . . . 25.0 112.032 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.74 19.52 17.4 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 123.284 0.365 . . . . 25.0 113.022 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -90.26 146.53 24.16 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.725 0.41 . . . . 25.0 110.083 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.5 tt0 -72.4 115.13 11.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.045 0.45 . . . . 25.0 111.656 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.05 101.09 11.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.31 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 79' ' ' GLU . 83.4 t -93.45 129.33 39.1 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.743 -172.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -67.63 143.29 61.69 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.888 2.392 . . . . 25.0 112.669 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.55 0.948 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.948 -175.227 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.572 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 92.9 m-70 . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.469 0.176 . . . . 25.0 111.197 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.6 mtp -96.66 149.7 21.51 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.786 0.326 . . . . 25.0 111.086 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 59' ' ' MET . 93.1 m-85 -140.44 126.35 19.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.455 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.765 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.61 144.26 29.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.908 0.385 . . . . 25.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE2' HG12 ' A' ' 96' ' ' VAL . 22.7 m-85 -128.36 176.06 8.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.931 -172.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.0 -15.46 7.33 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.68 -0.691 . . . . 25.0 110.91 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -143.41 143.92 31.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.854 0.462 . . . . 25.0 110.938 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.446 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.48 -21.19 42.25 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 p -76.62 -22.77 53.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.149 0.18 . . . . 25.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 91' ' ' PHE . 62.7 t -74.94 -62.82 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 174.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -47.86 -38.83 17.03 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.118 0.567 . . . . 25.0 112.271 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.73 -20.77 61.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.76 -30.91 21.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.533 0.333 . . . . 25.0 111.627 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.5 mm -76.08 -55.5 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -51.54 -43.87 62.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.255 1.022 . . . . 25.0 112.578 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 ttp -54.77 -56.1 22.97 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.342 0.401 . . . . 25.0 111.475 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -55.47 -58.18 8.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.33 0.394 . . . . 25.0 110.054 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.62 1.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.71 0.804 . . . . 25.0 110.668 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -52.02 -29.23 20.05 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.968 0.907 . . . . 25.0 113.326 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.32 -20.12 28.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.882 0.473 . . . . 25.0 111.028 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.45 -42.55 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.42 0.688 . . . . 25.0 111.558 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.489 HD11 HD12 ' A' ' 42' ' ' LEU . 59.1 mt -71.39 -35.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.142 0.177 . . . . 25.0 111.12 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.23 -17.4 58.22 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.634 0.584 . . . . 25.0 111.666 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -80.18 -42.53 23.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.551 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -81.68 0.14 40.11 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.613 -0.721 . . . . 25.0 111.34 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.3 tttm . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 115.487 -0.779 . . . . 25.0 110.215 179.691 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 42.8 t . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.48 -112.09 0.32 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.721 -1.127 . . . . 25.0 111.69 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.79 128.02 9.82 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.805 0.442 . . . . 25.0 110.339 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -145.91 154.79 42.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 98.3 mt -111.7 140.81 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.556 -0.747 . . . . 25.0 109.299 175.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -143.43 121.59 12.2 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 61.74 40.55 12.91 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.784 0.833 . . . . 25.0 111.971 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 69.84 -5.15 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.547 1.139 . . . . 25.0 113.488 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.6 t -97.1 122.79 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.486 ' HA ' HG12 ' A' ' 8' ' ' ILE . 43.3 t -83.08 141.48 31.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.571 -174.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.11 -155.89 7.75 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.01 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.04 140.88 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.085 -0.558 . . . . 25.0 109.526 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.89 137.01 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.574 -178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.45 146.03 43.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.226 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -106.49 130.9 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.103 0.478 . . . . 25.0 110.658 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -98.49 108.08 20.68 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.9 -1.045 . . . . 25.0 111.122 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -121.83 168.39 11.91 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 71.09 3.85 4.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.706 0.802 . . . . 25.0 111.69 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -101.46 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 114.28 -1.327 . . . . 25.0 110.117 176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.1 p -74.04 160.91 80.61 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 171.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.78 130.17 2.76 Favored 'Trans proline' 0 C--N 1.373 1.841 0 CA-C-N 122.288 1.853 . . . . 25.0 113.884 -139.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.38 140.52 10.14 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.935 -1.484 . . . . 25.0 113.293 -167.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.02 171.08 10.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 113.734 -1.575 . . . . 25.0 111.199 -168.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.656 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 50.7 tp -127.73 109.09 11.31 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 174.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -108.58 111.95 24.05 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.264 -171.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -86.55 136.54 33.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.533 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 54.9 mtp180 -128.22 151.2 49.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 25.0 109.711 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.8 p -69.96 158.9 34.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.394 172.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -53.87 -20.12 5.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -101.15 -31.3 11.11 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.379 0.425 . . . . 25.0 110.386 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 17.23 33.11 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.97 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -76.2 -28.48 57.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.593 0.357 . . . . 25.0 110.098 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.72 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.0 mttp -106.11 137.57 43.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.65 -0.704 . . . . 25.0 109.405 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.02 134.32 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 120.82 0.343 . . . . 25.0 111.725 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -129.17 146.2 51.15 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.663 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -129.22 129.82 45.5 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.982 0.42 . . . . 25.0 112.007 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.1 t -113.77 107.62 23.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.254 -0.884 . . . . 25.0 109.958 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.5 122.14 36.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -76.82 -20.12 56.74 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 -171.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.412 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.78 -3.55 16.05 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.198 0.523 . . . . 25.0 110.477 174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -115.28 5.43 14.69 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.203 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -112.76 137.91 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.527 -0.76 . . . . 25.0 109.698 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.88 -43.2 4.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.399 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 64.1 mttp -133.37 169.14 17.37 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.96 133.43 15.53 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -134.89 125.11 26.1 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.635 0.198 . . . . 25.0 110.787 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.5 144.1 45.39 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.6 p -62.63 125.32 85.91 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 123.677 0.791 . . . . 25.0 111.674 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 31.2 Cg_exo -60.17 166.23 9.4 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.774 2.316 . . . . 25.0 113.344 176.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -71.8 -13.68 61.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.381 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -97.42 -8.37 29.57 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.502 0.502 . . . . 25.0 111.057 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 29.7 t -77.7 137.47 38.52 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 112.716 0.635 . . . . 25.0 112.716 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.4 mp0 -58.92 -22.13 59.14 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.665 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -92.65 141.01 28.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.422 -1.263 . . . . 25.0 112.044 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -117.36 96.78 5.57 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 167.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 61.5 mtm -154.48 153.95 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.332 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.91 120.16 23.2 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.981 -1.009 . . . . 25.0 109.356 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -100.79 145.51 28.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.1 0.476 . . . . 25.0 111.902 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -127.88 109.73 11.89 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.975 -1.012 . . . . 25.0 110.171 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -88.76 132.88 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.087 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.89 162.19 33.89 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 116.075 -0.511 . . . . 25.0 113.823 -175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.401 0.619 . . . . 25.0 112.241 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -76.47 -6.06 50.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.54 0.336 . . . . 25.0 111.627 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -91.98 33.54 1.05 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.541 0.686 . . . . 25.0 110.8 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -46.02 128.35 9.15 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.84 1.256 . . . . 25.0 113.118 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 mtp-105 -110.27 145.13 37.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.64 138.56 53.92 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -78.99 -171.32 2.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.18 -32.05 63.98 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.728 1.011 . . . . 25.0 113.728 -174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.87 -12.81 37.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.91 20.58 25.76 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 116.235 -0.439 . . . . 25.0 112.912 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.42 148.05 24.4 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.521 0.328 . . . . 25.0 110.309 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG2' HG23 ' A' ' 81' ' ' VAL . 44.6 tt0 -71.64 120.51 17.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.329 -175.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.64 99.6 5.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.348 -0.842 . . . . 25.0 108.783 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.4 t -100.01 126.04 37.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.385 -171.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.1 124.63 12.42 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.986 2.457 . . . . 25.0 112.683 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 CA--C 1.552 1.029 0 CA-C-N 115.076 -0.966 . . . . 25.0 112.43 -174.017 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 110.235 -0.283 . . . . 25.0 110.235 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.9 mtm -102.64 139.75 37.81 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.342 0.592 . . . . 25.0 111.402 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.7 m-85 -119.65 164.35 16.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.48 -1.236 . . . . 25.0 108.481 173.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.781 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 42.5 m -121.37 139.66 53.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.203 0.525 . . . . 25.0 111.182 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.87 176.55 6.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.942 -1.026 . . . . 25.0 111.942 -170.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.84 -18.18 6.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.998 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -140.45 143.79 35.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.671 0.388 . . . . 25.0 111.096 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.535 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 52.0 ptt85 -79.21 -18.41 53.0 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.3 p -75.65 -27.12 58.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.093 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.38 -60.55 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.6 ptp -47.79 -40.72 21.71 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.75 -20.85 61.82 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.306 0.379 . . . . 25.0 111.868 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.74 -28.49 23.02 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.516 0.327 . . . . 25.0 111.591 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -79.58 -54.41 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -50.52 -41.91 54.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.193 0.997 . . . . 25.0 112.412 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.09 -59.08 5.62 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.344 0.403 . . . . 25.0 111.212 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.4 m -51.19 -58.94 4.83 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 110.035 -0.357 . . . . 25.0 110.035 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.2 -59.24 2.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.917 0.887 . . . . 25.0 110.698 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -55.15 -31.3 61.22 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -78.47 -21.12 49.49 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.518 0.327 . . . . 25.0 111.335 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 94.4 mt -85.32 -42.61 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.37 0.668 . . . . 25.0 111.706 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.41 -35.45 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.226 0.21 . . . . 25.0 111.252 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.6 p -62.4 -19.32 63.31 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.672 0.607 . . . . 25.0 111.818 175.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.41 -43.36 32.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.077 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 87.9 m-85 -82.03 -1.97 50.13 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.273 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 24.1 tptp . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.252 -0.885 . . . . 25.0 110.103 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 78.9 p . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.988 0.423 . . . . 25.0 111.216 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -155.28 -116.4 0.55 Allowed Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.865 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.18 126.38 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.642 0.377 . . . . 25.0 110.337 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 152.59 42.22 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.78 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 72.3 mt -110.02 140.21 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.972 -0.558 . . . . 25.0 109.853 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.545 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 27.3 t80 -145.65 126.78 14.7 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.745 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 6.5 pt-20 59.02 38.16 24.23 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.812 0.845 . . . . 25.0 111.981 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 68.66 -2.31 1.7 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.542 1.137 . . . . 25.0 113.043 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HD2' ' A' ' 36' ' ' LYS . 58.5 t -92.48 121.31 42.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 172.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -80.8 137.31 36.22 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.165 -0.47 . . . . 25.0 110.599 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.31 -158.61 8.75 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.492 -0.776 . . . . 25.0 113.268 -174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.5 mt -126.83 138.46 54.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.778 -0.711 . . . . 25.0 109.627 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -103.3 137.72 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.437 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.15 146.31 44.84 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.426 0.454 . . . . 25.0 111.273 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG22 ' HG3' ' A' ' 20' ' ' GLU . 87.2 mt -104.01 131.15 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.313 0.578 . . . . 25.0 110.64 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -98.45 106.51 18.8 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.572 -1.195 . . . . 25.0 111.158 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.5 mt-10 -122.97 167.83 13.09 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 173.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 72.67 2.82 4.49 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.816 0.846 . . . . 25.0 110.592 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -102.97 -172.54 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.665 -1.152 . . . . 25.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.2 p -73.69 158.89 85.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.47 130.55 2.51 Favored 'Trans proline' 0 C--N 1.375 1.929 0 CA-C-N 122.11 1.789 . . . . 25.0 113.913 -139.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.21 138.24 12.74 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.24 -166.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 4.7 mt-10 -124.45 171.84 9.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.494 -1.685 . . . . 25.0 110.763 -169.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 62' ' ' LEU . 1.7 tp -123.25 121.94 37.14 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.45 -0.945 . . . . 25.0 108.45 166.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.19 108.21 16.66 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.365 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HD1' HG13 ' A' ' 16' ' ' ILE . 91.0 t90 -84.83 135.03 34.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.612 171.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -128.12 150.04 50.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.437 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.78 164.41 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.136 -0.459 . . . . 25.0 110.028 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.1 m -53.43 -26.8 21.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -97.98 -30.78 12.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.223 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.42 32.11 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 116.106 -0.497 . . . . 25.0 113.924 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -79.09 -27.83 43.01 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 173.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 31.2 mttp -101.39 131.58 47.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.08 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 134.11 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-O 120.858 0.361 . . . . 25.0 111.535 -175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CE1' ' CE2' ' A' ' 9' ' ' PHE . 71.0 m80 -129.0 148.37 50.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.641 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.58 140.09 51.96 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.131 0.491 . . . . 25.0 111.603 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 62' ' ' LEU . 46.7 t -127.3 107.54 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 114.905 -1.043 . . . . 25.0 109.618 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 81.0 t -82.68 120.87 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.74 -20.85 59.66 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -171.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -68.29 -5.18 17.18 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.196 0.522 . . . . 25.0 110.442 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.38 7.33 15.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.891 -1.05 . . . . 25.0 110.179 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 22.7 mm -113.5 142.61 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.874 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -112.24 -45.8 3.25 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.558 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 22.8 mttp -132.64 169.94 15.92 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.772 HD11 ' OE1' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -149.52 131.88 15.61 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 178.029 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -131.66 115.29 15.86 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -115.89 153.63 31.19 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -175.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' HG2' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.84 126.9 92.21 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 123.505 0.722 . . . . 25.0 111.836 -177.502 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 31.3 Cg_exo -60.48 165.55 11.08 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.815 2.343 . . . . 25.0 113.132 173.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -7.81 55.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.202 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -96.47 -16.35 21.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.01 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 28.7 t -71.6 141.02 50.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.906 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.08 -19.9 66.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.742 -1.117 . . . . 25.0 111.674 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.699 ' CB ' HG21 ' A' ' 51' ' ' THR . 68.6 mttt -93.81 154.67 17.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.653 -1.158 . . . . 25.0 112.937 -172.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 90' ' ' SER . 58.4 mtm -127.2 98.43 5.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.962 -1.017 . . . . 25.0 108.859 169.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.86 ' HG2' HG23 ' A' ' 51' ' ' THR . 25.5 ptm -155.36 156.71 35.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.127 -0.488 . . . . 25.0 112.167 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' MET . 53.2 tp -139.89 118.82 12.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.202 -0.908 . . . . 25.0 109.126 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -100.22 146.37 26.96 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.896 0.379 . . . . 25.0 111.011 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -128.21 104.86 7.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.363 -0.835 . . . . 25.0 109.883 179.031 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 25.4 mt -84.98 135.28 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.078 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.63 163.7 28.67 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.739 -0.664 . . . . 25.0 113.789 -174.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.514 0.673 . . . . 25.0 112.06 178.794 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 120.662 0.268 . . . . 25.0 111.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -71.45 -13.04 61.7 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.064 -0.517 . . . . 25.0 111.092 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.12 141.6 28.64 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.581 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -99.74 131.95 45.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.803 -1.09 . . . . 25.0 111.935 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 77.9 ttt-85 -123.19 137.39 54.9 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 169.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -119.71 135.06 54.99 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.978 ' CB ' ' OE2' ' A' ' 76' ' ' GLU . 36.2 m-20 -78.93 -179.49 6.65 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.706 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.05 -32.47 61.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.978 ' OE2' ' CB ' ' A' ' 74' ' ' ASP . 1.3 pm0 -73.92 -21.85 59.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.6 14.86 42.34 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 116.161 -0.472 . . . . 25.0 112.781 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 63.8 t30 -80.91 150.31 29.08 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.637 0.375 . . . . 25.0 110.696 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -76.49 105.66 7.67 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.192 0.52 . . . . 25.0 110.227 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 80' ' ' VAL . 8.3 p -116.08 98.91 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.109 -0.951 . . . . 25.0 109.034 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 94.4 t -88.44 121.38 70.25 Favored Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 115.373 -0.831 . . . . 25.0 110.713 -172.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.99 130.71 31.85 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.079 2.519 . . . . 25.0 114.211 -171.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 114.439 -1.255 . . . . 25.0 112.738 -176.161 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 97.3 m-70 . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 120.436 0.16 . . . . 25.0 111.262 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 67.6 mtm -96.34 149.24 21.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.671 0.272 . . . . 25.0 110.791 -177.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 59' ' ' MET . 92.2 m-85 -140.61 125.45 18.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.629 175.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.78 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.54 144.35 29.56 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.951 0.405 . . . . 25.0 111.138 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -127.77 176.45 7.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.811 -173.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.41 -18.89 7.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.858 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -140.65 143.48 35.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.728 0.411 . . . . 25.0 111.075 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -79.08 -18.15 53.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.38 -21.58 55.87 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.221 0.325 . . . . 25.0 111.348 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.03 -62.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.0 ptp -46.39 -39.94 11.23 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.57 -24.63 61.95 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.498 0.499 . . . . 25.0 111.611 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -87.05 -32.29 20.07 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.454 0.471 . . . . 25.0 111.901 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.56 -54.04 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.18 -43.09 61.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.278 1.031 . . . . 25.0 112.145 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.1 ttp -54.63 -52.29 62.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.222 0.609 . . . . 25.0 111.697 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -60.13 -58.26 9.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 42' ' ' LEU . 77.3 mt -43.67 -59.47 2.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.11 0.964 . . . . 25.0 110.884 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.772 ' OE1' HD11 ' A' ' 48' ' ' LEU . 58.6 tp60 -50.15 -32.16 15.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.158 0.983 . . . . 25.0 113.44 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.93 -20.42 32.99 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.252 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.59 -41.12 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.355 0.662 . . . . 25.0 111.561 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.26 -35.52 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 120.521 0.2 . . . . 25.0 110.878 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.457 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.6 p -64.88 -16.96 63.87 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.565 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.76 -39.76 35.21 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.616 173.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -87.55 -0.82 57.39 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.228 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 29.2 tptp . . . . . 0 CA--C 1.535 0.394 0 CA-C-N 115.423 -0.808 . . . . 25.0 110.008 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.992 0.425 . . . . 25.0 111.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -159.48 -117.93 0.49 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.225 -0.898 . . . . 25.0 112.192 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 127.62 13.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.657 0.383 . . . . 25.0 110.297 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.77 42.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.793 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 68.5 mt -113.83 139.32 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.444 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -143.79 116.88 8.9 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.81 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 63.17 42.59 7.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.908 0.883 . . . . 25.0 112.037 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.67 -8.49 0.91 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.77 1.228 . . . . 25.0 113.762 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 94.4 t -93.07 118.64 39.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 173.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -81.19 138.97 35.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.406 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.06 -158.91 8.98 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.299 -0.864 . . . . 25.0 113.31 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 5' ' ' GLY . 91.7 mt -126.18 137.03 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 114.927 -0.636 . . . . 25.0 109.559 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.96 138.82 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.156 -0.475 . . . . 25.0 110.734 -177.615 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.19 145.89 44.23 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.098 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.43 HG22 ' HG3' ' A' ' 20' ' ' GLU . 85.5 mt -103.18 131.9 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.264 0.554 . . . . 25.0 110.236 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . 2.0 t-20 -100.23 107.15 18.91 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.737 -1.119 . . . . 25.0 111.375 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.4 mt-10 -123.98 167.57 13.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.107 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 72.86 2.72 4.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.855 0.862 . . . . 25.0 110.56 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.99 -172.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 114.591 -1.186 . . . . 25.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -73.6 160.68 81.66 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 172.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -40.95 130.02 2.89 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 122.262 1.844 . . . . 25.0 113.555 -140.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.21 17.61 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.121 -1.399 . . . . 25.0 113.14 -165.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -123.93 172.03 9.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 113.537 -1.665 . . . . 25.0 111.116 -168.148 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -126.97 109.64 12.14 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -109.63 114.43 28.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.135 -170.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 83.4 t90 -92.43 127.58 37.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.425 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 94.3 mtt-85 -111.36 162.7 14.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.151 -0.931 . . . . 25.0 110.993 170.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.515 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.7 p -76.4 172.57 12.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.373 -0.83 . . . . 25.0 108.995 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.6 m -56.98 -28.74 62.63 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 118.817 0.735 . . . . 25.0 112.433 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.2 -27.07 13.7 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.027 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 30' ' ' ARG . . . 96.14 18.39 31.63 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.608 -0.724 . . . . 25.0 113.505 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -66.72 -27.64 67.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.642 0.377 . . . . 25.0 110.515 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' NZ ' HG21 ' A' ' 12' ' ' VAL . 90.3 mttt -109.86 135.41 50.8 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.196 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 45.6 t -144.64 131.51 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 120.665 0.269 . . . . 25.0 111.455 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.71 148.41 49.05 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.491 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.35 127.65 41.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.907 0.384 . . . . 25.0 111.844 -175.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.9 t -112.24 107.16 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.13 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -81.74 120.9 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -73.76 -22.99 59.67 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -171.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -68.3 -2.26 7.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.072 0.463 . . . . 25.0 111.052 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.24 3.83 14.36 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.198 -0.91 . . . . 25.0 110.127 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -112.22 141.94 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.772 -176.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -109.97 -47.62 3.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.535 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.7 mttt -133.16 175.0 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 120.774 0.321 . . . . 25.0 111.79 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.03 131.01 14.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -129.13 113.89 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.668 0.27 . . . . 25.0 111.625 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.42 153.35 28.76 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.835 HG23 ' HG2' ' A' ' 59' ' ' MET . 1.1 p -70.82 122.12 85.87 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.621 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.93 163.21 11.83 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.657 2.238 . . . . 25.0 112.853 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 -9.0 58.12 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.682 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -92.95 -18.3 22.91 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.031 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -74.34 138.75 43.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.201 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.724 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -64.01 -17.96 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.085 -0.961 . . . . 25.0 111.95 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.6 ' CB ' HG21 ' A' ' 51' ' ' THR . 63.6 mttm -94.43 156.14 16.62 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.542 -1.208 . . . . 25.0 113.119 -171.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.1 mtm -127.04 99.05 5.55 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.821 -1.082 . . . . 25.0 109.238 170.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.835 ' HG2' HG23 ' A' ' 51' ' ' THR . 3.4 ptm -155.69 155.02 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.605 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 16.5 tp -136.58 118.56 15.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.031 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -101.68 147.32 26.59 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.222 0.534 . . . . 25.0 111.927 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 104' ' ' LEU . 3.6 mm? -128.4 104.01 7.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.919 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' ILE . 81.7 mt -85.61 137.77 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.158 -0.473 . . . . 25.0 109.933 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.27 165.65 30.29 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.788 -0.642 . . . . 25.0 113.771 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.236 0.384 0 C-N-CA 123.2 0.6 . . . . 25.0 111.728 178.828 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -76.41 -3.99 39.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.6 0.36 . . . . 25.0 111.471 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -89.71 27.56 1.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.961 0.504 . . . . 25.0 111.098 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.9 125.76 7.87 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -107.04 151.44 25.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.731 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.07 140.01 52.59 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.6 p30 -80.92 -170.74 2.83 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.256 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -55.8 -32.19 63.3 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.13 -18.4 23.59 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -176.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.08 22.88 8.46 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.543 -0.36 . . . . 25.0 113.124 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -89.43 148.12 23.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.6 tt0 -73.97 117.58 15.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.381 -174.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -124.44 99.85 6.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.212 -0.904 . . . . 25.0 109.187 173.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 79' ' ' GLU . 50.4 t -98.47 124.88 45.01 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.696 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.64 135.06 43.59 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.758 2.306 . . . . 25.0 113.278 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 CA--C 1.538 0.5 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.756 -175.47 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.5 m-70 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.844 0.354 . . . . 25.0 110.602 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 74.1 mtm -106.95 136.51 46.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.003 -174.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.0 m-85 -126.4 130.16 50.19 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.309 -0.86 . . . . 25.0 109.976 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.793 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 39.9 m -83.89 142.7 30.39 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.988 0.423 . . . . 25.0 111.297 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HE2' HG12 ' A' ' 96' ' ' VAL . 11.2 m-85 -125.76 176.45 6.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.412 -0.813 . . . . 25.0 111.751 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -122.42 -17.57 7.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.874 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.31 143.45 32.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.592 0.357 . . . . 25.0 111.039 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 5.4 mpt_? -79.0 -18.16 54.13 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.75 -0.659 . . . . 25.0 112.41 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.15 -19.29 54.32 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.337 0.398 . . . . 25.0 111.244 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.414 HG12 ' HE2' ' A' ' 91' ' ' PHE . 74.5 t -82.72 -59.84 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.424 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 25.4 ptp -48.46 -40.71 27.28 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -69.8 -21.22 63.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.426 0.454 . . . . 25.0 111.935 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.94 -29.37 22.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.842 0.457 . . . . 25.0 111.713 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -78.83 -54.49 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.15 -42.11 63.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 25.0 112.891 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 ttp -55.91 -56.85 15.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.834 0.453 . . . . 25.0 111.599 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -54.81 -58.48 7.41 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.451 0.469 . . . . 25.0 110.124 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 42' ' ' LEU . 86.4 mt -43.7 -59.5 2.18 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.872 0.869 . . . . 25.0 110.935 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -52.1 -30.76 27.63 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.71 -19.72 34.74 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.58 -43.57 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.379 0.672 . . . . 25.0 111.675 175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 42' ' ' LEU . 58.6 mt -70.25 -38.97 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.097 0.159 . . . . 25.0 111.242 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -60.48 -17.14 43.04 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.656 0.597 . . . . 25.0 112.071 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -79.51 -43.66 22.7 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.577 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -80.47 -3.33 49.54 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.416 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.2 tttp . . . . . 0 CA--C 1.536 0.411 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.298 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 39.0 t . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.793 0.33 . . . . 25.0 111.281 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.39 -117.0 0.85 Allowed Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.025 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.55 127.49 14.51 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.635 0.374 . . . . 25.0 110.298 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.25 155.46 43.87 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 81.6 mt -112.72 139.36 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.597 -0.729 . . . . 25.0 109.231 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -142.29 120.84 12.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.053 -0.521 . . . . 25.0 109.64 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 61.72 40.8 12.68 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.743 0.817 . . . . 25.0 111.952 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 71.57 -7.0 1.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.656 1.183 . . . . 25.0 113.57 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.6 t -94.55 125.17 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.7 t -84.32 137.37 33.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.482 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.8 -158.06 8.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.072 -0.967 . . . . 25.0 112.971 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' GLY . 14.9 mt -125.4 137.58 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.233 -0.484 . . . . 25.0 109.753 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.563 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 137.85 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.725 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.64 141.01 41.19 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.497 0.498 . . . . 25.0 111.26 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.05 130.26 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.168 0.509 . . . . 25.0 110.17 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.6 106.44 18.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.455 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -122.36 168.1 12.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.637 -0.711 . . . . 25.0 109.157 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 72.72 2.26 4.29 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.833 0.853 . . . . 25.0 111.658 -171.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -101.67 -171.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.202 -1.363 . . . . 25.0 109.76 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -73.24 166.51 43.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 106.128 -1.805 . . . . 25.0 106.128 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.44 129.17 3.49 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.411 1.897 . . . . 25.0 113.284 -143.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.43 17.26 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 114.367 -1.288 . . . . 25.0 113.17 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.74 172.29 8.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.599 -1.637 . . . . 25.0 111.162 -168.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 39.4 tp -127.47 109.9 12.22 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 173.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -109.01 112.03 24.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.337 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 89' ' ' PHE . 78.1 t90 -87.76 133.78 33.8 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.331 -0.849 . . . . 25.0 109.49 170.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -127.19 159.3 34.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.493 173.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.6 p -68.14 169.01 11.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 -28.62 58.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -99.89 -30.4 12.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.448 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.07 16.81 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.701 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.62 -27.78 65.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.587 0.355 . . . . 25.0 111.499 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 0.2 OUTLIER -109.5 142.33 40.68 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 174.159 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.29 136.95 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -133.2 145.76 50.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.36 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -128.96 131.06 47.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.062 0.458 . . . . 25.0 112.02 -174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 3.4 t -114.42 107.64 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.987 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.57 121.13 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.53 -20.84 59.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.488 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -69.01 -4.62 17.61 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.241 0.543 . . . . 25.0 110.416 175.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.24 6.28 14.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.834 -1.076 . . . . 25.0 110.139 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -113.56 142.63 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.665 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.95 -45.65 3.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.49 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 57.1 mttp -132.32 168.59 17.83 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 47' ' ' LYS . 4.9 mt -147.96 136.12 21.3 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -135.76 119.24 16.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.388 0.137 . . . . 25.0 111.045 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 144.39 41.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 57' ' ' LYS . 73.4 p -62.68 120.97 64.8 Favored Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 123.192 0.597 . . . . 25.0 111.514 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -54.55 163.21 3.92 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.969 2.446 . . . . 25.0 113.452 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.26 -11.27 60.83 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.8 -0.636 . . . . 25.0 112.041 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -95.66 -17.48 21.28 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.331 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -70.75 138.01 50.12 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.41 -30.79 41.98 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.378 -1.283 . . . . 25.0 112.394 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 51' ' ' THR . 57.0 mttp -90.74 145.83 24.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 113.766 -1.561 . . . . 25.0 112.928 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' HG3' ' A' ' 59' ' ' MET . 91.5 mmm -117.59 97.54 5.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.375 -0.83 . . . . 25.0 109.172 167.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 38.8 mtt -154.8 150.85 27.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.88 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 tp -127.97 119.37 25.36 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.944 -1.025 . . . . 25.0 109.203 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -101.38 147.24 26.56 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.207 0.527 . . . . 25.0 112.21 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -128.24 106.19 8.87 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.768 -1.105 . . . . 25.0 110.026 178.583 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.652 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 91.3 mt -85.0 129.88 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 116.075 -0.511 . . . . 25.0 109.727 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.27 168.62 38.81 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.837 -0.619 . . . . 25.0 113.891 -174.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.2 tttp . . . . . 0 C--O 1.237 0.413 0 CA-C-O 121.541 0.686 . . . . 25.0 112.367 179.651 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 82' ' ' PRO . 99.3 mt-10 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -68.96 -18.53 64.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.884 0.373 . . . . 25.0 110.678 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 81' ' ' VAL . 99.1 mttt -97.51 129.68 44.65 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.963 172.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 81' ' ' VAL . 67.3 mttt -100.71 145.65 28.2 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.567 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 39.1 mtp-105 -110.71 154.42 23.91 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.66 143.07 51.18 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -87.47 -169.59 2.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.751 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.09 -31.59 63.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -92.08 -18.12 24.03 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.22 8.06 Favored Glycine 0 C--N 1.34 0.796 0 C-N-CA 121.492 -0.385 . . . . 25.0 113.189 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -91.03 142.35 27.86 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -72.91 100.81 3.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 111.182 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 59.4 t -106.78 99.88 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.416 173.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 70' ' ' LYS . 13.7 t -92.44 126.32 52.85 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.387 -172.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 37.7 Cg_endo -58.48 128.64 29.13 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 123.448 2.765 . . . . 25.0 114.209 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 CA--C 1.551 0.992 0 CA-C-N 114.873 -1.058 . . . . 25.0 111.589 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.512 0.196 . . . . 25.0 110.746 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 63.1 ttp -104.13 137.98 41.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.526 0.679 . . . . 25.0 111.658 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 75.8 m-85 -116.7 164.0 15.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 114.32 -1.309 . . . . 25.0 108.326 172.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.802 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 67.4 m -121.32 135.88 55.04 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.315 0.579 . . . . 25.0 111.114 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD2' ' HG3' ' A' ' 97' ' ' MET . 11.1 m-85 -121.86 176.5 5.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.886 -1.052 . . . . 25.0 111.84 -172.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.59 -19.88 7.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.898 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.586 0.355 . . . . 25.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -74.38 -19.66 60.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.432 178.066 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.6 p -73.9 -20.35 60.42 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.246 0.341 . . . . 25.0 111.224 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HE2' ' A' ' 91' ' ' PHE . 87.3 t -82.97 -57.93 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.535 ' HG3' ' CD2' ' A' ' 91' ' ' PHE . 78.8 mtm -49.56 -43.05 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -70.29 -21.35 62.96 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.82 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.1 -37.93 15.82 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.958 0.503 . . . . 25.0 112.14 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.74 -52.89 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -53.89 -42.3 68.51 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.849 0.859 . . . . 25.0 111.964 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.9 ttp -51.65 -52.2 49.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.163 0.585 . . . . 25.0 111.75 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -61.6 -57.91 10.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.72 -58.8 2.51 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.007 0.923 . . . . 25.0 110.866 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -48.79 -33.24 10.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.309 1.043 . . . . 25.0 113.326 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -83.33 -20.3 34.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.24 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.0 -41.93 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.177 0.591 . . . . 25.0 111.897 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 48' ' ' LEU . 59.2 mt -69.18 -35.73 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 117.967 0.349 . . . . 25.0 110.791 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -63.63 -18.03 63.51 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.601 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -76.87 -41.37 44.17 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.674 172.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 65.9 m-85 -86.53 1.29 52.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.391 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.997 178.543 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.815 0.341 . . . . 25.0 111.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.24 -118.64 0.63 Allowed Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.084 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.69 126.88 12.95 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.741 0.416 . . . . 25.0 110.168 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.16 151.51 40.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -110.52 138.9 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.405 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -142.29 116.77 9.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.697 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 62.94 42.19 7.8 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.888 0.875 . . . . 25.0 111.967 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt 69.28 -7.46 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.638 1.175 . . . . 25.0 113.88 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HD2' ' A' ' 36' ' ' LYS . 94.4 t -93.84 116.39 34.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 173.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.433 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -78.45 141.03 38.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.916 -0.583 . . . . 25.0 111.404 -175.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.3 -157.9 8.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.102 -0.954 . . . . 25.0 112.994 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.66 138.64 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.132 -0.534 . . . . 25.0 109.666 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.83 139.13 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.445 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -136.73 145.88 45.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.999 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.51 139.15 25.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.307 0.575 . . . . 25.0 110.058 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.5 t30 -106.57 99.38 8.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.399 -175.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 107' ' ' ILE . 71.2 mt-10 -121.83 167.25 13.23 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 176.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.86 1.61 4.08 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.0 0.92 . . . . 25.0 110.438 -170.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.48 -173.18 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 114.592 -1.185 . . . . 25.0 110.066 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.47 163.05 70.98 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 106.074 -1.824 . . . . 25.0 106.074 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -42.38 130.01 4.87 Favored 'Trans proline' 0 C--N 1.374 1.886 0 CA-C-N 122.188 1.817 . . . . 25.0 113.133 -143.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -49.09 138.07 12.53 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.346 -1.297 . . . . 25.0 112.863 -164.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -132.35 137.15 47.29 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.872 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 17' ' ' ALA . 27.5 tp -95.2 110.53 22.49 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.6 m -104.05 107.84 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 113.977 -1.465 . . . . 25.0 110.724 -171.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -84.43 134.76 34.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.779 -0.646 . . . . 25.0 109.309 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.99 148.72 50.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.505 -0.771 . . . . 25.0 109.639 173.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.645 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.49 158.65 33.34 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 173.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -53.16 -20.08 3.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.531 0.938 . . . . 25.0 113.531 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -101.19 -31.55 10.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.448 0.468 . . . . 25.0 110.821 171.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.98 17.18 33.22 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.605 -0.725 . . . . 25.0 113.032 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -75.78 -28.21 58.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.648 0.379 . . . . 25.0 110.051 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.7 mttp -106.49 137.21 44.89 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.342 173.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.03 132.93 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-O 120.776 0.322 . . . . 25.0 111.725 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.92 149.38 48.76 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.647 -0.706 . . . . 25.0 109.554 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.29 142.24 50.89 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.865 0.364 . . . . 25.0 111.672 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 74.1 t -131.92 107.49 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.341 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.78 118.72 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 107' ' ' ILE . 71.3 mt -77.88 -18.07 56.61 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.8 -3.63 16.48 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.267 0.556 . . . . 25.0 110.542 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -115.27 1.95 13.91 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.921 -1.036 . . . . 25.0 110.292 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 63' ' ' ILE . 39.9 mm -105.8 142.99 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.095 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -110.79 -46.94 3.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.79 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 15.8 mttp -131.2 166.83 20.29 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -176.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.02 130.17 15.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -131.43 114.79 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 -174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.01 34.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.2 p -68.71 122.31 84.35 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.52 0.728 . . . . 25.0 111.735 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.02 162.7 8.75 Favored 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.783 2.322 . . . . 25.0 113.075 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.42 -8.53 55.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.786 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -95.82 -18.18 20.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.117 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -72.94 137.9 45.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.124 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -62.42 -18.57 62.0 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.129 -0.941 . . . . 25.0 111.946 176.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -94.48 155.73 16.8 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.581 -1.19 . . . . 25.0 112.998 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' SER . 73.3 mtm -128.18 98.39 5.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.641 -1.163 . . . . 25.0 108.914 170.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 75.4 mtm -154.19 153.83 32.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.446 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -136.39 118.4 15.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.871 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -106.13 146.58 30.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.113 0.482 . . . . 25.0 111.809 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 23.6 mt -128.01 104.81 8.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.289 -175.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 45' ' ' ILE . 71.3 mt -85.33 136.25 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.922 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.08 139.36 14.44 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.135 -0.484 . . . . 25.0 113.551 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 123.781 0.833 . . . . 25.0 112.014 179.846 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -75.28 -11.87 60.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.856 0.36 . . . . 25.0 111.602 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.05 37.98 1.27 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.856 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.2 117.85 1.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.097 0.959 . . . . 25.0 112.459 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -102.12 153.21 20.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.122 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.3 148.05 50.24 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.329 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -84.79 -174.79 5.47 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.19 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -55.74 -31.81 62.85 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.884 1.068 . . . . 25.0 113.884 -174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -91.8 -20.18 21.77 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.833 0.308 . . . . 25.0 111.833 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.95 25.33 5.94 Favored Glycine 0 C--N 1.339 0.737 0 O-C-N 123.32 0.387 . . . . 25.0 113.09 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -89.91 145.24 25.27 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.542 0.337 . . . . 25.0 110.178 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.717 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -74.0 118.22 16.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.096 0.474 . . . . 25.0 111.302 -175.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.57 100.87 7.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.071 -0.968 . . . . 25.0 109.233 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 59.6 t -94.66 126.99 45.37 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.209 -173.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.28 133.38 46.14 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.029 2.486 . . . . 25.0 113.713 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 114.553 -1.203 . . . . 25.0 111.903 -175.205 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.9 m80 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.626 0.251 . . . . 25.0 110.8 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -100.38 143.19 30.85 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.956 0.408 . . . . 25.0 111.12 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.0 m-85 -136.3 127.8 28.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.311 -0.858 . . . . 25.0 109.615 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.829 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.1 m -83.89 145.66 28.48 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.844 0.354 . . . . 25.0 111.136 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.24 175.39 8.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.844 -173.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -121.53 -15.71 7.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.741 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -144.07 143.36 31.12 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.624 0.37 . . . . 25.0 111.253 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -77.94 -18.97 55.45 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.475 -0.784 . . . . 25.0 112.712 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.21 -21.22 50.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 123.182 0.301 . . . . 25.0 111.213 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.07 -62.7 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.9 ptp -47.39 -41.12 19.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.93 -23.93 63.29 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 123.35 0.406 . . . . 25.0 111.749 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.05 -31.08 20.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.028 0.531 . . . . 25.0 111.88 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mm -74.4 -55.55 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -51.72 -41.67 61.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.14 0.976 . . . . 25.0 112.515 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.2 ttp -60.65 -57.65 11.79 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.15 0.281 . . . . 25.0 111.061 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 m -50.13 -58.39 5.66 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.397 0.436 . . . . 25.0 109.855 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mp -43.98 -59.07 2.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.1 0.96 . . . . 25.0 111.062 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -56.45 -29.59 61.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.751 -0.658 . . . . 25.0 112.686 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.88 -20.61 52.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.665 0.386 . . . . 25.0 111.229 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 42' ' ' LEU . 85.6 mt -85.25 -42.72 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.558 0.743 . . . . 25.0 111.571 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.59 -33.33 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.658 0.383 . . . . 25.0 111.341 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -65.65 -17.97 64.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.749 0.655 . . . . 25.0 111.442 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -79.44 -42.96 24.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.785 0.434 . . . . 25.0 110.721 173.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.1 -5.14 57.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.162 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.536 0.436 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.998 177.568 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 53.9 p . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.908 0.385 . . . . 25.0 111.728 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.17 -113.29 0.34 Allowed Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.16 -0.927 . . . . 25.0 111.843 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.94 129.63 12.31 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 122.645 0.378 . . . . 25.0 110.43 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.06 153.63 40.94 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.0 mt -112.36 139.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.324 175.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -143.24 119.84 11.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.869 -0.605 . . . . 25.0 109.542 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 61.5 41.67 12.3 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.761 0.824 . . . . 25.0 112.04 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.17 -7.42 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.588 1.155 . . . . 25.0 113.698 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.7 t -95.4 120.14 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -81.83 139.78 34.55 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.66 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.56 -156.42 7.85 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.232 -0.895 . . . . 25.0 113.109 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.87 139.76 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.071 -0.564 . . . . 25.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.95 136.77 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.557 -178.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 146.34 45.43 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.2 -0.455 . . . . 25.0 111.093 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.3 mt -105.02 131.85 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.307 0.575 . . . . 25.0 110.552 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.5 105.07 17.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.505 -1.225 . . . . 25.0 111.196 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 52.0 mt-10 -123.1 167.73 13.29 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 173.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 61.1 m-20 73.94 1.95 4.05 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 123.882 0.873 . . . . 25.0 110.494 -172.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -103.21 -172.25 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 114.555 -1.202 . . . . 25.0 110.075 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.6 164.75 58.79 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.47 129.22 3.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 CA-C-N 122.29 1.854 . . . . 25.0 113.182 -142.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.7 21.56 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.401 -1.272 . . . . 25.0 113.092 -164.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.7 mt-10 -125.55 171.46 10.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 113.703 -1.59 . . . . 25.0 110.771 -168.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 62' ' ' LEU . 22.2 tp -123.03 122.43 38.48 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 167.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.55 108.42 16.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.671 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -84.75 134.33 34.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.615 -0.721 . . . . 25.0 109.433 170.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.515 ' NH2' ' HA3' ' A' ' 34' ' ' GLY . 56.8 mtp180 -125.22 152.08 45.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.371 -0.831 . . . . 25.0 109.643 172.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.19 161.01 30.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.8 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -51.6 -28.72 14.98 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -96.45 -27.2 15.01 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.048 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA3' ' NH2' ' A' ' 30' ' ' ARG . . . 94.09 17.2 41.3 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.804 -0.634 . . . . 25.0 113.193 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -74.32 -29.55 61.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 122.76 0.424 . . . . 25.0 110.789 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 34.9 mttp -106.44 139.02 41.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.573 -0.74 . . . . 25.0 109.309 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -148.86 129.42 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 120.805 0.335 . . . . 25.0 111.743 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -123.4 147.57 46.98 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.778 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -129.3 142.04 50.94 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.111 0.482 . . . . 25.0 111.707 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 62' ' ' LEU . 40.0 t -129.22 107.69 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.529 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.21 121.36 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.628 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.75 -22.08 58.99 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -172.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 97.7 p -66.06 -12.16 53.53 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.859 0.361 . . . . 25.0 111.3 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.38 16.21 16.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.521 -0.763 . . . . 25.0 110.827 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 63' ' ' ILE . 45.8 mm -110.6 139.35 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.127 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -106.36 -48.44 3.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.568 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HB2' HD12 ' A' ' 63' ' ' ILE . 96.8 mttt -133.52 176.47 8.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.295 0.569 . . . . 25.0 112.047 -179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 127.08 10.44 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.768 -1.106 . . . . 25.0 108.504 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -124.3 116.48 22.7 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.507 0.194 . . . . 25.0 110.828 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.48 148.77 32.44 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.319 -0.4 . . . . 25.0 112.056 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 p -68.47 121.32 80.27 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.431 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -54.95 163.08 4.46 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.849 2.366 . . . . 25.0 113.363 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.71 60.16 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.969 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 p -95.45 -17.21 21.69 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.144 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -71.47 139.66 49.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.859 -0.61 . . . . 25.0 112.46 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.1 mp0 -57.49 -23.17 48.47 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.713 -1.131 . . . . 25.0 112.36 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -96.75 152.94 18.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.203 -1.362 . . . . 25.0 113.515 -169.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.41 ' C ' ' HG3' ' A' ' 59' ' ' MET . 75.7 mtm -124.53 98.31 5.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.02 169.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 68.8 mtp -155.47 157.14 36.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.337 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.12 118.47 14.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.309 -0.859 . . . . 25.0 108.996 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -101.45 146.36 27.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.165 0.507 . . . . 25.0 111.882 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD13 HG11 ' A' ' 40' ' ' VAL . 91.6 mt -128.2 107.92 10.19 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.031 -0.986 . . . . 25.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' ILE . 97.8 mt -90.55 140.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.211 -0.45 . . . . 25.0 109.799 -174.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.74 157.24 22.85 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 116.153 -0.476 . . . . 25.0 114.104 -173.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 tttp . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.325 0.583 . . . . 25.0 112.047 178.31 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -82.29 2.46 31.97 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.869 0.366 . . . . 25.0 111.607 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.94 33.19 2.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.858 -0.61 . . . . 25.0 110.931 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -46.0 116.62 1.27 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.799 0.84 . . . . 25.0 112.037 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -102.08 154.98 18.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.698 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.14 143.84 50.98 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.036 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -85.02 -169.14 2.51 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.792 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.84 -31.43 64.76 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.471 0.915 . . . . 25.0 113.471 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.05 -22.28 20.83 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.35 22.69 8.04 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 121.473 -0.394 . . . . 25.0 113.2 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -92.02 146.0 24.09 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.1 pm0 -72.82 113.26 9.65 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.43 . . . . 25.0 111.322 -175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.44 100.79 11.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.246 -0.888 . . . . 25.0 109.078 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 58.2 t -94.35 122.48 61.17 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 115.376 -0.829 . . . . 25.0 111.469 -172.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 50.8 Cg_exo -64.63 124.34 13.09 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.041 2.494 . . . . 25.0 112.926 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.545 0.777 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.54 -175.136 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 8.6 m80 . . . . . 0 N--CA 1.468 0.457 0 CA-C-O 120.854 0.359 . . . . 25.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.1 mtm -101.68 142.38 33.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.948 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -134.61 129.32 34.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.78 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.88 143.65 29.74 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.93 0.395 . . . . 25.0 111.297 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 13.6 m-85 -127.57 175.73 8.03 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.659 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.86 -17.06 6.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.814 -0.63 . . . . 25.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.43 130.22 16.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.469 0.308 . . . . 25.0 110.571 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.678 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.0 mpt_? -62.26 -18.0 60.0 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.4 p -76.71 -25.04 53.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.474 0.31 . . . . 25.0 111.524 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.57 -62.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.678 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 13.3 ptp -47.19 -30.07 2.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.205 1.002 . . . . 25.0 113.524 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.53 -35.23 46.51 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.034 0.209 . . . . 25.0 111.216 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.5 -31.01 57.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.007 0.523 . . . . 25.0 112.177 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -72.45 -53.4 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 172.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.84 -42.53 62.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.997 0.919 . . . . 25.0 112.111 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 ttp -55.14 -52.17 64.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.305 0.642 . . . . 25.0 111.639 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.5 m -60.65 -57.15 13.94 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.242 0.339 . . . . 25.0 110.157 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' LEU . 86.7 mt -43.78 -58.22 2.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.031 0.932 . . . . 25.0 110.914 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -50.7 -32.67 20.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.389 1.076 . . . . 25.0 113.288 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -82.65 -20.29 36.57 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -83.45 -44.98 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.5 0.72 . . . . 25.0 111.967 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.18 -40.16 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 117.812 0.278 . . . . 25.0 111.203 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.7 p -70.36 -14.69 62.68 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -69.0 -32.53 72.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 166.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 66.0 m-85 -91.81 -4.05 55.37 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.052 175.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 92.0 mttt . . . . . 0 N--CA 1.478 0.937 0 C-N-CA 122.842 0.457 . . . . 25.0 110.563 173.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.9 0.381 . . . . 25.0 111.702 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -152.25 -117.46 0.73 Allowed Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.194 -0.912 . . . . 25.0 111.766 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.56 127.57 14.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.579 0.352 . . . . 25.0 110.315 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.9 155.11 43.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.813 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 67.1 mt -113.7 140.04 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -143.84 116.91 8.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 63.55 42.88 6.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.895 0.878 . . . . 25.0 112.019 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 70.84 -8.42 0.95 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.691 1.196 . . . . 25.0 113.747 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HE2' ' A' ' 36' ' ' LYS . 72.1 t -93.6 121.99 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -82.1 138.12 34.86 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.326 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -153.14 -157.93 8.29 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.179 -0.919 . . . . 25.0 113.261 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 5' ' ' GLY . 97.4 mt -127.03 136.59 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 114.949 -0.625 . . . . 25.0 109.457 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.3 tt -100.68 136.02 34.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.636 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.23 138.57 40.27 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.554 0.534 . . . . 25.0 111.248 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 20' ' ' GLU . 94.5 mt -96.2 131.65 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.08 0.466 . . . . 25.0 110.246 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -98.98 104.79 16.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.877 -1.056 . . . . 25.0 111.195 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' OE2' HD11 ' A' ' 107' ' ' ILE . 66.5 mt-10 -121.91 167.91 12.51 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 173.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 73.42 2.14 4.2 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.907 0.883 . . . . 25.0 110.513 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.0 -172.43 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.8 164.35 61.8 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 105.295 -2.113 . . . . 25.0 105.295 171.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -41.58 129.65 3.71 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 122.623 1.972 . . . . 25.0 113.512 -141.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.94 139.58 22.05 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.288 -1.324 . . . . 25.0 113.069 -165.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -124.92 172.1 9.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.683 -1.598 . . . . 25.0 111.244 -167.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.667 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 40.6 tp -127.4 109.29 11.62 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.288 -1.005 . . . . 25.0 108.288 174.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 97.0 m -107.02 110.99 23.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.313 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -85.45 137.35 32.97 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.709 -0.678 . . . . 25.0 109.318 168.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm180 -130.95 160.01 35.78 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.956 -1.02 . . . . 25.0 109.263 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 93.7 p -77.84 164.29 25.31 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.69 -31.75 58.39 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.505 0.558 . . . . 25.0 112.505 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.94 -31.26 12.64 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.439 171.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.58 18.16 13.51 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.472 -0.785 . . . . 25.0 113.798 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.9 p-10 -69.99 -25.11 63.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.819 0.448 . . . . 25.0 111.302 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 17.5 mttp -112.96 139.93 48.2 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.789 -0.641 . . . . 25.0 109.447 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.85 128.41 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.697 0.284 . . . . 25.0 110.977 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' THR . 80.6 m80 -125.95 145.02 50.45 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.908 -0.587 . . . . 25.0 109.538 177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.3 128.57 43.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.965 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 58.7 t -112.96 107.62 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.088 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.92 120.87 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -73.53 -22.97 59.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -170.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.8 p -67.46 -2.69 6.79 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.096 0.474 . . . . 25.0 110.906 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.21 3.83 14.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.208 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 47.8 mm -111.96 143.22 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 109.784 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -112.39 -43.26 3.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.326 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.9 mttt -133.19 169.83 16.31 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.783 0.661 . . . . 25.0 112.783 -176.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.799 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.59 132.63 15.25 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.399 -0.819 . . . . 25.0 108.885 178.114 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -134.82 120.62 19.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.55 0.159 . . . . 25.0 110.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.04 147.52 37.06 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 p -63.34 122.53 76.38 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.345 0.658 . . . . 25.0 111.661 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.44 164.57 5.33 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.774 2.316 . . . . 25.0 113.355 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.627 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -74.35 -9.61 58.77 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.954 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -96.79 -9.64 28.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.72 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 137.96 37.54 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 116.025 -0.534 . . . . 25.0 112.295 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.747 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -61.25 -26.13 67.55 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.936 -1.029 . . . . 25.0 111.878 175.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -86.49 142.54 28.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.128 -1.396 . . . . 25.0 112.433 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.427 ' C ' ' HG3' ' A' ' 59' ' ' MET . 97.6 mmm -116.18 96.85 5.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.054 169.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.8 mtt -155.57 156.05 34.42 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.202 -173.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' PHE . 12.9 tp -133.13 119.83 20.45 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.959 -1.019 . . . . 25.0 109.219 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -101.31 145.01 29.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.156 0.503 . . . . 25.0 111.865 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -126.82 106.31 9.25 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.998 -1.001 . . . . 25.0 110.014 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 46.4 mt -85.83 128.76 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.028 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.02 37.72 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.738 -0.664 . . . . 25.0 113.816 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--O 1.237 0.411 0 CA-C-O 121.679 0.752 . . . . 25.0 112.802 -178.834 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 112.068 0.396 . . . . 25.0 112.068 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -81.84 -21.24 37.69 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.559 0.344 . . . . 25.0 111.748 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -84.59 129.41 34.85 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.097 0.475 . . . . 25.0 111.181 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -96.39 122.28 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.219 -0.9 . . . . 25.0 111.873 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 68.2 ttp85 -110.11 142.27 41.82 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 171.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.59 144.39 50.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.808 0.337 . . . . 25.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -82.58 -170.11 2.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.769 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -57.34 -31.5 65.77 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -89.9 -23.21 21.67 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.96 17.4 13.06 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 121.51 -0.376 . . . . 25.0 113.379 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -87.21 147.24 25.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -71.26 119.55 15.55 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.991 0.424 . . . . 25.0 111.367 -174.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 37.3 t -123.62 99.5 6.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.082 -0.963 . . . . 25.0 108.869 172.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.529 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.9 t -90.29 125.14 61.06 Favored Pre-proline 0 CA--C 1.551 1.002 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.591 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -57.76 129.98 36.28 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.077 2.518 . . . . 25.0 113.869 -172.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 CA--C 1.54 0.594 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.469 -176.081 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 22.5 m80 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.484 0.183 . . . . 25.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -101.69 140.87 35.39 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.998 0.428 . . . . 25.0 111.499 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.2 m-85 -129.56 130.22 45.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.219 -0.901 . . . . 25.0 109.412 176.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.813 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 41.6 t -88.8 140.79 29.09 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.275 0.56 . . . . 25.0 111.784 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -124.15 176.29 6.49 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.891 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -122.26 -16.33 7.44 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.964 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -141.02 143.77 34.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.692 0.397 . . . . 25.0 111.034 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.627 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -80.68 -22.31 40.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -177.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -78.15 -19.47 53.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 123.067 0.229 . . . . 25.0 111.187 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.17 -62.56 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.965 -0.754 . . . . 25.0 108.965 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -39.26 21.85 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.087 0.555 . . . . 25.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.32 -22.04 61.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.682 -0.69 . . . . 25.0 112.748 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.05 -37.9 15.91 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.838 0.455 . . . . 25.0 112.124 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.72 -54.08 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -52.71 -42.87 65.25 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.795 0.838 . . . . 25.0 111.854 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.7 ttm -52.29 -53.44 44.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.195 0.598 . . . . 25.0 111.794 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.6 m -60.15 -57.58 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.73 -58.36 2.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.097 0.959 . . . . 25.0 110.958 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.427 ' OE1' HD13 ' A' ' 48' ' ' LEU . 70.2 tp60 -50.96 -31.04 16.59 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.253 1.021 . . . . 25.0 113.315 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.77 -20.38 33.42 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.044 -0.526 . . . . 25.0 111.043 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.477 HD11 ' OE2' ' A' ' 20' ' ' GLU . 96.6 mt -82.37 -43.82 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 C-N-CA 123.403 0.681 . . . . 25.0 111.666 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.95 -35.56 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 122.247 0.219 . . . . 25.0 111.131 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -63.7 -18.82 64.39 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.611 0.57 . . . . 25.0 111.888 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -78.07 -42.02 33.54 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.725 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -81.44 -3.52 53.17 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.591 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 CA--C 1.536 0.412 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.363 179.645 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 121.073 0.463 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.05 -122.37 0.91 Allowed Glycine 0 C--N 1.333 0.362 0 CA-C-N 115.098 -0.955 . . . . 25.0 111.958 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.46 122.4 10.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.555 0.342 . . . . 25.0 110.235 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -140.0 154.33 47.1 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.76 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 75.0 mt -112.89 139.09 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.243 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -143.48 120.0 11.04 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 63.11 40.87 8.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.803 0.841 . . . . 25.0 111.969 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 69.64 -6.76 0.97 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.601 1.16 . . . . 25.0 113.828 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -93.82 122.49 45.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 173.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.8 t -82.49 136.25 34.93 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.39 -176.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.22 -159.48 9.0 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.112 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.58 138.42 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.587 . . . . 25.0 109.444 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.46 140.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.543 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.82 145.93 45.05 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.453 0.471 . . . . 25.0 111.147 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -104.88 139.98 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.327 0.585 . . . . 25.0 109.833 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 6.5 t30 -110.59 99.54 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.599 -1.182 . . . . 25.0 110.471 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.12 167.62 12.94 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.94 3.25 4.56 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.766 0.826 . . . . 25.0 111.641 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 m -102.32 -173.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.26 -1.336 . . . . 25.0 110.287 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -74.66 162.19 74.69 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 169.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -43.16 130.16 6.12 Favored 'Trans proline' 0 C--N 1.376 1.983 0 CA-C-N 122.475 1.92 . . . . 25.0 113.256 -141.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.48 138.88 9.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.075 -1.421 . . . . 25.0 112.927 -165.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.69 138.91 47.43 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -173.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 63.6 tp -96.75 104.98 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.7 m -104.04 109.51 21.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.013 -1.449 . . . . 25.0 111.199 -170.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -84.92 135.44 34.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.336 170.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HG2' HG23 ' A' ' 37' ' ' VAL . 75.7 mtp85 -126.48 163.89 22.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.021 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.7 p -72.45 169.4 16.46 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.2 m -56.77 -28.55 61.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.508 0.594 . . . . 25.0 112.437 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -100.01 -28.97 12.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.477 170.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.96 18.78 21.44 Favored Glycine 0 C--N 1.342 0.892 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.696 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.6 p-10 -68.76 -28.02 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.622 0.369 . . . . 25.0 110.651 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -110.16 141.92 42.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.409 174.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -149.31 135.5 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -175.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -129.22 147.84 51.1 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.372 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.63 129.97 45.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 87.4 t -116.47 107.73 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.703 175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.2 122.31 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 173.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 104' ' ' LEU . 1.2 mm? -79.45 -19.27 50.28 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -70.01 -1.88 11.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.091 0.472 . . . . 25.0 110.483 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -114.81 4.87 15.04 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.167 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -112.57 139.34 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.96 -44.39 4.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.541 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 65.3 mttp -131.81 166.96 20.39 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -148.46 125.56 11.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 178.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -130.18 122.91 29.06 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.318 0.104 . . . . 25.0 111.023 -176.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.36 155.13 27.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.613 0.598 . . . . 25.0 112.613 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.756 HG21 ' HB3' ' A' ' 57' ' ' LYS . 34.0 p -65.32 119.52 60.1 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.63 0.772 . . . . 25.0 111.292 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.0 166.01 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.209 0 C-N-CA 123.143 2.562 . . . . 25.0 113.674 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.6 -4.53 40.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.867 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -102.99 -17.93 15.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.568 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 t -64.54 144.13 57.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.224 0.61 . . . . 25.0 112.436 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.3 pm0 -65.36 -24.07 67.15 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.483 173.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.756 ' HB3' HG21 ' A' ' 51' ' ' THR . 7.8 mmtp -89.88 143.41 26.82 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.005 -1.452 . . . . 25.0 112.694 -174.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.413 ' HA ' HH12 ' A' ' 94' ' ' ARG . 66.4 mtm -116.23 96.26 5.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.1 -0.954 . . . . 25.0 108.805 169.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 12.8 mtt -155.79 162.78 40.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.174 -174.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 tp -142.06 120.0 12.01 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.162 -0.927 . . . . 25.0 109.535 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -100.44 146.83 26.55 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.979 0.419 . . . . 25.0 111.366 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.678 HD11 HD13 ' A' ' 104' ' ' LEU . 3.7 mm? -127.86 104.77 8.0 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 87.5 mt -85.55 137.78 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.907 -0.588 . . . . 25.0 109.601 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.31 163.0 21.8 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.975 -0.557 . . . . 25.0 113.945 -172.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttt . . . . . 0 C--O 1.236 0.358 0 C-N-CA 123.05 0.54 . . . . 25.0 110.782 176.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -76.66 0.02 21.82 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.997 0.427 . . . . 25.0 111.638 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -109.7 35.87 3.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.632 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -45.34 121.9 3.2 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.983 0.913 . . . . 25.0 112.486 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -103.06 153.68 20.03 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.219 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -127.04 140.95 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.282 -0.417 . . . . 25.0 109.998 177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -81.61 -171.47 3.34 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.919 -0.582 . . . . 25.0 112.04 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.46 -31.94 64.47 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.464 0.912 . . . . 25.0 113.464 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -90.96 -16.87 27.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.0 0.371 . . . . 25.0 112.0 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 19.51 16.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 121.489 -0.386 . . . . 25.0 113.438 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -88.23 149.77 23.66 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.13 116.22 14.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.091 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.63 100.99 9.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.301 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -93.74 127.32 46.2 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 115.285 -0.871 . . . . 25.0 111.33 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.11 134.49 52.99 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.049 2.499 . . . . 25.0 113.589 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 CA--C 1.542 0.669 0 CA-C-N 114.854 -1.066 . . . . 25.0 111.447 -176.848 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.4 m-70 . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.463 0.173 . . . . 25.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 66.8 mtt -96.7 148.56 22.76 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.597 0.237 . . . . 25.0 110.887 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' MET . 99.0 m-85 -138.27 128.19 25.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.547 173.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 18.4 t -87.35 141.04 28.93 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.339 0.59 . . . . 25.0 111.759 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.74 176.2 7.08 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.939 -171.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -126.31 -8.49 6.4 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.801 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -143.92 143.69 31.38 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.928 0.394 . . . . 25.0 111.226 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.413 HH12 ' HA ' ' A' ' 58' ' ' MET . 32.7 mmt180 -80.46 -31.37 37.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.596 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -72.93 -19.34 61.27 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.097 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -77.35 -62.7 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.1 ptm -48.44 -39.75 23.83 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.6 -25.12 63.81 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.26 -34.47 18.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.087 0.555 . . . . 25.0 111.991 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.72 -55.76 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.32 -44.04 54.07 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.896 0.878 . . . . 25.0 112.573 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.4 -59.52 5.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 119.394 -0.336 . . . . 25.0 111.543 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -50.21 -56.51 10.77 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.458 0.474 . . . . 25.0 109.93 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.72 -57.88 2.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.875 0.87 . . . . 25.0 110.97 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -55.99 -30.7 62.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.635 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.53 -20.29 54.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.717 0.407 . . . . 25.0 111.017 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.08 -43.39 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.695 0.798 . . . . 25.0 111.585 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.426 HD12 HD21 ' A' ' 48' ' ' LEU . 85.8 mt -72.5 -34.85 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 122.488 0.315 . . . . 25.0 111.461 -175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.8 p -63.6 -18.95 64.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.68 0.612 . . . . 25.0 111.459 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -77.78 -42.62 33.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.775 172.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -81.67 -0.73 44.03 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.758 -0.655 . . . . 25.0 111.269 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.536 0.419 0 CA-C-N 115.45 -0.795 . . . . 25.0 110.325 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 25.0 111.059 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.17 -114.57 0.47 Allowed Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.403 -0.817 . . . . 25.0 111.993 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.17 126.61 11.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 122.559 0.344 . . . . 25.0 110.495 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.51 152.41 41.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 -177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 93.3 mt -110.58 137.9 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.37 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -141.39 120.86 13.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.634 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 62.15 39.18 13.1 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.716 0.806 . . . . 25.0 112.096 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.26 -5.27 1.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.653 1.181 . . . . 25.0 113.547 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.13 119.21 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -80.32 137.57 36.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.461 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.59 -158.2 8.57 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.2 -0.909 . . . . 25.0 113.094 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -125.81 138.58 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.119 -0.541 . . . . 25.0 109.643 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.629 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.9 134.4 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.605 -178.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.13 139.49 41.23 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.316 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.1 mt -99.09 134.72 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.775 0.798 . . . . 25.0 110.774 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -100.89 107.54 19.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.671 -1.604 . . . . 25.0 111.36 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.63 167.71 13.08 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 70.78 3.53 4.63 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.669 0.788 . . . . 25.0 111.842 -172.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 23' ' ' SER . 21.2 m -101.87 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.275 -1.33 . . . . 25.0 109.872 176.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.33 163.84 65.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 171.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -41.54 128.88 3.59 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 122.148 1.803 . . . . 25.0 113.272 -141.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 138.19 18.36 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 114.258 -1.337 . . . . 25.0 113.139 -165.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -122.57 171.77 8.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 113.686 -1.597 . . . . 25.0 111.16 -168.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 43.9 tp -127.36 107.68 10.19 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -108.52 112.09 24.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.654 -0.703 . . . . 25.0 111.254 -170.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -86.96 134.34 33.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.465 -0.789 . . . . 25.0 109.593 170.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -127.47 157.19 40.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.709 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 86.5 p -68.41 167.7 14.14 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.4 m -56.19 -28.92 59.99 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.42 -27.0 13.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.006 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 18.2 27.3 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.691 -0.686 . . . . 25.0 113.497 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 8.5 p-10 -70.2 -30.59 67.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.635 0.374 . . . . 25.0 110.746 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.8 mttp -110.13 135.33 51.1 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.617 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.34 134.27 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 120.842 0.353 . . . . 25.0 111.766 -174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.83 147.24 50.43 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.555 176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.39 129.22 44.45 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.868 0.366 . . . . 25.0 111.936 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 83.8 t -112.89 107.35 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.031 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.05 122.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -75.81 -24.0 55.85 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.012 1.115 . . . . 25.0 114.012 -170.647 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 87.6 p -66.74 -3.47 6.77 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.093 0.473 . . . . 25.0 110.919 174.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.07 4.21 14.61 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.125 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 63' ' ' ILE . 21.6 mm -111.62 141.79 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.513 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -111.84 -44.24 3.49 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.511 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.97 173.72 11.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.9 0.381 . . . . 25.0 111.822 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -150.16 127.42 11.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.466 -0.788 . . . . 25.0 108.883 178.526 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -124.86 117.42 24.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.325 0.107 . . . . 25.0 110.806 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -112.02 151.74 28.96 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -66.12 118.16 49.91 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.081 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.33 159.71 2.8 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.988 2.459 . . . . 25.0 113.468 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.89 -4.83 30.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.955 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.9 p -101.29 -17.47 16.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.148 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -71.06 136.74 48.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.126 0.57 . . . . 25.0 112.263 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.684 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -57.54 -28.19 63.3 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.898 -1.046 . . . . 25.0 112.278 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -83.84 153.96 23.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.783 -1.553 . . . . 25.0 113.574 -173.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.6 mtt -123.82 98.94 6.03 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.259 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 63.5 mtt -156.4 155.1 31.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.866 -0.606 . . . . 25.0 111.529 -175.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 50' ' ' ALA . 2.3 tp -135.55 119.73 17.71 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.464 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' NH2' ' SD ' ' A' ' 88' ' ' MET . 28.6 ttm180 -104.73 144.92 31.08 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.254 0.549 . . . . 25.0 112.108 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 104' ' ' LEU . 4.2 mm? -128.41 105.22 8.17 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.979 -1.01 . . . . 25.0 110.488 -177.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 45' ' ' ILE . 89.4 mt -85.2 145.14 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.49 160.71 18.99 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.751 -174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.237 0.403 0 C-N-CA 123.126 0.571 . . . . 25.0 110.926 177.178 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.6 -13.69 60.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.552 0.341 . . . . 25.0 111.616 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.14 39.67 1.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.548 0.69 . . . . 25.0 110.726 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 81' ' ' VAL . 27.6 ttmt -44.76 116.97 1.17 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.462 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -102.94 145.96 29.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.068 -0.969 . . . . 25.0 110.078 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.7 138.12 53.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.716 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -77.85 -171.35 2.22 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.031 -0.531 . . . . 25.0 112.339 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.5 -31.88 62.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -88.83 -16.69 31.41 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 22.26 12.92 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.258 -0.428 . . . . 25.0 112.847 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -92.98 148.58 21.88 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.492 0.317 . . . . 25.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -68.7 119.45 13.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.52 -175.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -128.52 99.7 5.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.368 -0.833 . . . . 25.0 108.76 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HG2' ' A' ' 79' ' ' GLU . 93.7 t -97.33 127.36 38.5 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.014 -172.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.27 130.96 38.39 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.94 2.426 . . . . 25.0 113.366 -177.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 pttt . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 114.891 -1.05 . . . . 25.0 111.564 -175.024 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 88.8 m-70 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.522 0.201 . . . . 25.0 111.108 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.441 ' SD ' ' NH2' ' A' ' 61' ' ' ARG . 60.8 ttp -101.91 135.68 43.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.237 0.541 . . . . 25.0 111.035 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -117.69 165.65 13.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.719 -1.128 . . . . 25.0 108.938 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.476 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -119.23 144.84 46.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.831 0.348 . . . . 25.0 110.582 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -129.61 176.08 8.29 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.593 -0.73 . . . . 25.0 111.861 -172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -123.31 -17.78 6.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.971 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -141.94 143.62 33.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.663 0.385 . . . . 25.0 111.14 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.6 ttt180 -75.4 -28.08 59.3 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.494 -0.775 . . . . 25.0 112.145 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.8 p -74.19 -19.07 60.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.918 -0.583 . . . . 25.0 111.591 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.71 -62.54 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 109.057 -0.719 . . . . 25.0 109.057 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 24.7 ptp -43.78 -50.91 7.62 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.072 0.549 . . . . 25.0 112.213 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' MET . 82.5 m-20 -64.0 -26.08 68.41 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.521 0.513 . . . . 25.0 112.005 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -81.95 -33.18 30.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.867 0.467 . . . . 25.0 111.616 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.92 -51.76 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 48' ' ' LEU . 85.7 tttt -44.99 -51.12 10.2 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.652 1.181 . . . . 25.0 112.3 172.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 ttm -53.79 -53.39 53.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.35 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.4 m -57.77 -61.08 2.78 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.314 0.384 . . . . 25.0 110.066 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 62' ' ' LEU . 91.1 mt -43.12 -57.28 2.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.234 1.014 . . . . 25.0 111.004 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.409 ' OE1' HD11 ' A' ' 48' ' ' LEU . 65.4 tp60 -54.17 -32.44 55.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.001 -1.0 . . . . 25.0 113.242 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -76.41 -22.81 54.24 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.779 0.288 . . . . 25.0 111.779 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.713 ' HB ' HD12 ' A' ' 42' ' ' LEU . 92.4 mt -82.44 -42.28 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.768 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.86 -35.32 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 122.24 0.216 . . . . 25.0 111.106 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.26 -17.96 64.11 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.71 0.631 . . . . 25.0 111.457 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -78.08 -42.01 33.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.948 0.499 . . . . 25.0 110.94 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 78.0 m-85 -84.0 0.12 49.35 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.278 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 49.0 tptt . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.717 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.017 0.437 . . . . 25.0 111.902 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.17 -114.57 0.73 Allowed Glycine 0 C--N 1.334 0.423 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.781 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.608 0.363 . . . . 25.0 110.54 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.33 154.38 41.6 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.763 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 96.9 mt -112.76 137.48 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.525 -0.761 . . . . 25.0 109.065 175.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -141.13 117.58 10.82 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.171 -0.468 . . . . 25.0 109.791 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 63.69 41.07 7.34 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.879 0.872 . . . . 25.0 112.031 -177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 70.67 -7.54 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.705 1.202 . . . . 25.0 113.611 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.92 121.21 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.488 ' HA ' HG12 ' A' ' 8' ' ' ILE . 47.3 t -81.75 135.93 35.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.273 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.77 -157.47 8.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.067 -0.97 . . . . 25.0 113.013 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' GLY . 93.3 mt -126.3 138.74 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.189 -0.506 . . . . 25.0 109.847 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.76 135.43 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.392 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 141.14 42.32 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.989 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.54 129.59 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.338 0.589 . . . . 25.0 110.633 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.63 105.67 17.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.562 -1.199 . . . . 25.0 111.405 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -121.29 168.29 11.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 71.46 3.7 4.77 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 123.733 0.813 . . . . 25.0 111.691 -172.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.47 -172.5 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 114.275 -1.329 . . . . 25.0 110.167 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -73.64 159.83 83.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 105.27 -2.122 . . . . 25.0 105.27 171.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.78 130.28 2.76 Favored 'Trans proline' 0 C--N 1.374 1.911 0 CA-C-N 122.193 1.819 . . . . 25.0 114.029 -139.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.4 138.55 7.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 113.826 -1.534 . . . . 25.0 113.462 -168.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.57 171.29 10.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.371 -1.741 . . . . 25.0 110.808 -169.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -121.29 121.39 37.59 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 167.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.33 107.98 16.29 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.795 -175.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -84.53 136.2 33.9 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 74.9 mtp85 -126.76 165.73 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.006 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.6 p -73.77 166.53 23.15 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 175.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 m -53.77 -29.96 42.42 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 25.0 112.763 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -99.66 -31.34 11.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.589 170.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 18.94 10.78 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.572 -0.74 . . . . 25.0 114.204 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.92 -30.38 69.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.891 0.345 . . . . 25.0 110.835 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 60.5 mttp -106.15 143.27 34.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 173.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.32 136.7 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.818 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -133.14 146.83 51.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.628 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -129.33 140.7 51.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.09 0.472 . . . . 25.0 111.895 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG11 HD22 ' A' ' 62' ' ' LEU . 22.9 t -126.48 108.16 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.584 176.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.15 122.68 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -77.51 -21.7 52.34 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -67.95 -4.05 11.86 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.227 0.537 . . . . 25.0 110.569 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.25 3.21 14.22 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.218 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 63' ' ' ILE . 48.0 mm -109.1 139.67 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.329 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -105.32 -49.56 3.42 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.524 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 48' ' ' LEU . 57.7 mttp -132.21 174.98 9.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 122.611 0.364 . . . . 25.0 111.294 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' HG ' ' A' ' 62' ' ' LEU . 15.3 mt -150.61 137.6 19.22 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -134.33 118.84 17.95 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.573 0.212 . . . . 25.0 111.573 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.695 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.2 152.48 28.35 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.781 ' CG2' ' H ' ' A' ' 59' ' ' MET . 9.2 t -71.33 122.46 87.14 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 123.252 0.621 . . . . 25.0 111.523 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.01 163.55 4.17 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.014 2.476 . . . . 25.0 113.463 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -12.82 61.5 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.986 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -95.76 -16.7 21.75 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.367 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 57' ' ' LYS . 29.5 t -68.97 146.29 52.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.339 0.656 . . . . 25.0 112.545 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -4.95 2.36 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.564 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' HG21 ' A' ' 51' ' ' THR . 75.9 mmtt -120.73 147.13 45.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.72 -1.127 . . . . 25.0 112.667 -163.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.677 ' HA ' HG21 ' A' ' 51' ' ' THR . 73.3 mtm -120.03 95.84 4.92 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.701 -1.136 . . . . 25.0 108.701 168.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.781 ' H ' ' CG2' ' A' ' 51' ' ' THR . 8.0 ptp -156.02 159.04 38.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.837 -174.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 15.0 tp -135.44 119.51 17.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.927 -1.033 . . . . 25.0 109.05 178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.542 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 91.7 mtt-85 -104.68 144.29 31.92 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.314 0.578 . . . . 25.0 112.006 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 5.5 mp -123.91 107.82 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.767 -1.106 . . . . 25.0 110.517 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 45' ' ' ILE . 79.3 mt -85.44 130.24 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.956 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.77 170.98 35.53 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.711 -0.677 . . . . 25.0 113.854 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.237 0.426 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -177.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 25.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -83.42 -15.99 47.57 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.42 33.64 0.69 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.372 0.669 . . . . 25.0 111.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -46.49 120.45 2.89 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.035 0.934 . . . . 25.0 112.376 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -99.74 151.61 21.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.539 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.38 141.61 51.84 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.891 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -83.76 -170.03 2.87 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.891 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.07 -31.66 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -90.01 -15.82 31.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.987 0.365 . . . . 25.0 111.987 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.85 30.37 Favored Glycine 0 C--N 1.34 0.769 0 O-C-N 123.365 0.416 . . . . 25.0 112.806 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.58 145.12 27.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.546 0.338 . . . . 25.0 110.163 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -73.42 117.36 15.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.13 -0.486 . . . . 25.0 111.174 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.76 100.83 8.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.146 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 79' ' ' GLU . 66.0 t -98.98 128.92 30.84 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.811 -170.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 122.3 8.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.719 2.279 . . . . 25.0 111.672 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.548 0.897 0 CA-C-N 114.668 -1.151 . . . . 25.0 112.877 -172.022 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 90.0 m-70 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.4 ttp -139.83 143.29 36.73 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.996 0.427 . . . . 25.0 111.17 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -135.18 129.53 33.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.328 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.763 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 13.8 t -87.55 141.27 28.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.354 0.597 . . . . 25.0 111.908 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 11.9 m-85 -123.94 175.4 6.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.7 -1.137 . . . . 25.0 111.539 -172.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -123.21 -17.1 6.73 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.136 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -146.12 128.28 15.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.867 0.365 . . . . 25.0 110.964 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -58.46 -20.43 45.17 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.882 0.873 . . . . 25.0 113.304 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.1 p -75.43 -31.72 60.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.187 0.304 . . . . 25.0 111.45 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.5 -62.11 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.695 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.8 ttp -48.66 -31.77 7.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.101 0.96 . . . . 25.0 113.538 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -81.21 -22.49 38.78 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 -33.86 19.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.65 0.38 . . . . 25.0 111.734 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.72 -52.27 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.6 tttt -55.28 -40.06 70.57 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.682 0.793 . . . . 25.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.6 ttp -54.81 -49.4 71.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.215 0.606 . . . . 25.0 111.426 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.7 m -62.21 -57.44 11.43 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.245 0.341 . . . . 25.0 110.129 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 101' ' ' LYS . 85.1 mt -43.84 -59.48 2.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.909 0.884 . . . . 25.0 110.795 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -50.75 -30.31 13.65 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.125 0.97 . . . . 25.0 113.496 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.06 -20.59 28.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 25.0 111.132 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.9 -42.07 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.143 0.577 . . . . 25.0 111.508 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.46 -34.85 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 117.699 0.227 . . . . 25.0 110.934 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -63.79 -16.99 62.62 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.617 0.573 . . . . 25.0 111.735 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.48 -41.64 23.98 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.468 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -82.11 -2.47 52.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.349 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 115.377 -0.829 . . . . 25.0 109.999 178.745 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 97.3 p . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.739 0.304 . . . . 25.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -168.17 -131.32 1.28 Allowed Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.632 -0.713 . . . . 25.0 111.906 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.36 130.76 41.13 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.417 0.151 . . . . 25.0 110.72 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.24 151.57 40.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.654 -178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.747 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 74.8 mt -113.0 132.09 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -137.8 116.41 12.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.187 -0.46 . . . . 25.0 109.93 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.19 39.9 7.2 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.883 0.873 . . . . 25.0 111.75 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 69.21 -4.68 1.23 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.697 1.199 . . . . 25.0 113.594 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.23 113.99 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 171.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.412 ' HA ' HG12 ' A' ' 8' ' ' ILE . 33.3 t -74.5 133.14 42.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.034 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.14 -160.06 8.65 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.224 -0.898 . . . . 25.0 113.516 -174.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' GLY . 13.6 mt -127.28 133.19 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 114.822 -0.689 . . . . 25.0 109.972 -178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG13 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -100.82 132.72 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.635 -179.22 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.21 135.8 37.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 25.0 111.224 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 26' ' ' GLU . 79.5 mt -96.24 134.66 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 121.794 0.807 . . . . 25.0 110.645 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -100.44 105.73 17.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.663 -1.608 . . . . 25.0 111.132 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' OE2' HD11 ' A' ' 107' ' ' ILE . 92.9 mt-10 -119.72 167.89 11.61 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 173.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 73.71 1.12 3.84 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.961 0.905 . . . . 25.0 110.639 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -103.03 -172.65 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 114.711 -1.132 . . . . 25.0 110.107 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.77 160.84 81.09 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 171.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -40.95 128.99 2.87 Favored 'Trans proline' 0 C--N 1.37 1.702 0 CA-C-N 121.856 1.698 . . . . 25.0 113.664 -139.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.6 137.0 9.58 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.041 -1.436 . . . . 25.0 113.264 -168.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.5 mt-10 -121.54 172.17 8.28 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.403 -1.726 . . . . 25.0 111.041 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 22.8 tp -128.27 105.56 8.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 174.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -105.46 111.55 24.3 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.376 -171.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 74.2 t90 -85.87 137.52 32.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.532 170.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -129.57 167.41 17.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.03 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.516 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.5 p -77.34 170.69 16.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.524 0.602 . . . . 25.0 112.546 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.32 -31.04 13.09 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 169.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.91 18.29 15.93 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.258 -0.883 . . . . 25.0 113.753 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -68.43 -29.33 67.97 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.782 0.433 . . . . 25.0 111.642 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 1.2 mttp -104.36 140.9 37.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 7.7 p -149.12 140.57 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 -174.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -137.03 147.49 46.23 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.267 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.5 m -129.28 131.4 46.98 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 93.4 t -116.61 107.82 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.217 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -80.53 122.41 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.32 -23.78 50.92 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 82.4 p -67.02 -3.5 7.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.186 0.517 . . . . 25.0 110.577 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.3 p -115.51 -2.85 12.44 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.722 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.4 mm -102.05 144.62 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.741 0.816 . . . . 25.0 109.338 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -110.18 -45.41 3.59 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.861 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.636 ' HB2' HD12 ' A' ' 63' ' ' ILE . 63.0 mttp -133.06 174.67 10.11 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.943 0.401 . . . . 25.0 111.909 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 7.1 tt -150.17 129.86 13.19 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' N ' HD23 ' A' ' 48' ' ' LEU . 18.5 mt-30 -127.26 114.55 17.77 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.751 0.31 . . . . 25.0 111.677 -176.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.41 157.85 21.39 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.877 HG21 ' HA ' ' A' ' 58' ' ' MET . 4.8 t -75.34 125.22 89.14 Favored Pre-proline 0 N--CA 1.481 1.108 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.411 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -57.8 163.26 9.49 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.715 2.277 . . . . 25.0 112.984 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.33 55.87 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.997 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.8 p -95.59 -17.65 21.21 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.89 -0.595 . . . . 25.0 110.958 173.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.455 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -70.84 140.97 51.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.57 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.92 -17.42 64.33 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.968 -1.015 . . . . 25.0 111.773 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.68 154.99 16.93 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.769 -1.105 . . . . 25.0 112.978 -172.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.877 ' HA ' HG21 ' A' ' 51' ' ' THR . 75.2 mtm -127.65 99.03 5.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.823 -1.081 . . . . 25.0 108.991 169.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.694 ' H ' ' CG2' ' A' ' 51' ' ' THR . 11.1 ptp -155.67 158.42 38.25 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.861 -173.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -140.61 118.31 11.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.086 -0.961 . . . . 25.0 108.999 176.677 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 67.4 mtp85 -103.29 145.99 29.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.194 0.521 . . . . 25.0 111.711 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -126.69 106.67 9.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.801 -1.09 . . . . 25.0 109.956 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 47' ' ' LYS . 8.2 mt -85.64 129.41 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.112 -173.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.88 159.52 34.46 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.763 -0.653 . . . . 25.0 113.089 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.536 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -81.3 2.68 27.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.655 0.382 . . . . 25.0 111.711 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -91.69 27.42 2.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.01 0.524 . . . . 25.0 111.245 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -47.93 119.09 2.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.905 0.882 . . . . 25.0 112.399 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -105.94 154.56 20.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.334 -0.848 . . . . 25.0 110.303 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.66 143.7 51.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.41 -0.359 . . . . 25.0 110.116 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -85.18 -171.11 3.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.695 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.89 -31.64 66.94 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -88.77 -18.07 28.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 14.71 31.48 Favored Glycine 0 C--N 1.343 0.94 0 C-N-CA 121.505 -0.378 . . . . 25.0 113.552 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -83.58 147.99 27.43 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.707 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -75.03 114.01 13.02 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.278 -174.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.64 100.98 11.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.235 176.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.53 126.74 44.44 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 115.338 -0.847 . . . . 25.0 111.548 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.21 127.55 15.2 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.827 2.351 . . . . 25.0 112.378 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.539 0.545 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.717 -174.823 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 . . . . . 0 CA--C 1.537 0.448 0 CA-C-O 120.773 0.321 . . . . 25.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.7 ttt -100.04 138.62 36.86 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.995 -175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -131.15 126.67 36.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.596 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.747 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 22.6 t -81.76 136.18 35.44 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.328 0.585 . . . . 25.0 111.219 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 97' ' ' MET . 8.9 m-85 -117.01 175.57 5.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.612 -173.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -122.66 -15.22 7.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.5 -0.773 . . . . 25.0 111.299 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -151.24 132.15 14.2 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.956 0.502 . . . . 25.0 110.457 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 10.6 mpt_? -62.5 -18.32 61.63 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 p -75.78 -29.35 58.74 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.089 0.243 . . . . 25.0 111.308 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.5 -62.5 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.644 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 22.8 ptp -46.63 -32.95 3.82 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.145 0.978 . . . . 25.0 113.438 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -80.11 -24.76 40.31 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.058 0.224 . . . . 25.0 111.583 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -85.61 -31.31 22.68 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.413 0.446 . . . . 25.0 111.762 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 104' ' ' LEU . 32.0 mm -71.56 -53.11 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 172.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -50.93 -43.95 60.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.7 0.8 . . . . 25.0 111.78 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.53 -51.79 64.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.242 0.617 . . . . 25.0 111.641 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 107' ' ' ILE . 11.3 m -58.85 -61.09 2.88 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.554 ' CD2' HG22 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -43.25 -59.42 2.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.288 1.035 . . . . 25.0 110.978 177.059 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -49.65 -32.36 12.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.139 0.975 . . . . 25.0 113.597 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.29 -20.65 34.04 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.401 0.438 . . . . 25.0 111.225 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.693 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 60.5 mt -85.62 -34.25 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 123.546 0.738 . . . . 25.0 111.664 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.1 -43.14 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 118.181 0.446 . . . . 25.0 110.88 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.49 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 89.0 p -63.16 -22.54 66.93 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.195 0.522 . . . . 25.0 110.386 173.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 50.1 tpt85 -68.64 -39.02 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.612 1.165 . . . . 25.0 111.253 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 43' ' ' SER . 70.0 m-85 -90.27 -6.79 54.77 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.83 175.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 64.6 tttm . . . . . 0 CA--C 1.535 0.381 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.158 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo . . . . . 0 N--CA 1.488 1.197 0 N-CA-C 111.332 -0.295 . . . . 25.0 111.332 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -127.37 -35.2 2.2 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.25 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.474 ' ND1' HG21 ' A' ' 103' ' ' THR . 94.5 m-70 70.71 -31.53 0.22 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.527 1.131 . . . . 25.0 112.991 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.6 t -128.77 143.46 50.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.988 0.423 . . . . 25.0 110.923 -178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.51 -119.33 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.175 -0.921 . . . . 25.0 111.957 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.14 123.63 10.37 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.751 0.42 . . . . 25.0 110.321 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -141.0 152.87 45.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 86.8 mt -112.63 138.24 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.736 -0.665 . . . . 25.0 109.27 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -140.91 121.73 14.42 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.912 -0.586 . . . . 25.0 109.636 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 61.12 39.47 16.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.714 0.806 . . . . 25.0 112.06 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.61 -6.35 1.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.581 1.152 . . . . 25.0 113.767 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 36' ' ' LYS . 88.9 t -93.53 120.86 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 173.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -81.96 137.0 35.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.513 -175.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.65 -158.89 8.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.873 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.73 138.71 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.475 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 140.04 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.545 -178.345 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.0 140.91 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.469 0.481 . . . . 25.0 111.129 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.1 mt -98.27 140.26 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.427 0.632 . . . . 25.0 109.964 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.5 t30 -110.88 100.2 8.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.425 -1.261 . . . . 25.0 110.54 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -122.56 167.36 13.48 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.16 2.5 4.34 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.932 0.893 . . . . 25.0 110.594 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.72 -173.45 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.785 -1.098 . . . . 25.0 110.517 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.47 159.91 82.41 Favored Pre-proline 0 N--CA 1.471 0.601 0 N-CA-C 105.319 -2.104 . . . . 25.0 105.319 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.88 130.07 4.17 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.425 1.902 . . . . 25.0 113.502 -140.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.02 132.25 15.42 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.975 -1.466 . . . . 25.0 112.79 -167.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -128.79 141.84 51.18 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.016 -0.993 . . . . 25.0 113.093 -173.058 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 47.8 tp -96.72 105.12 17.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -104.87 107.99 19.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.373 -1.285 . . . . 25.0 111.187 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -85.3 131.94 34.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.445 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -126.18 157.25 38.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.604 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.555 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.7 p -67.93 167.92 12.76 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.2 -0.429 . . . . 25.0 109.971 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.45 -30.08 51.66 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -98.69 -31.65 11.8 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.219 -0.446 . . . . 25.0 109.954 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.99 17.96 15.0 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 115.596 -0.729 . . . . 25.0 113.898 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.5 p-10 -69.08 -28.92 66.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.602 0.361 . . . . 25.0 111.517 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 3.7 mttp -107.12 138.49 43.19 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.18 132.5 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 120.955 0.407 . . . . 25.0 111.788 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -124.89 144.26 50.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.216 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -128.92 129.18 45.15 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.5 t -114.73 107.68 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.507 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.41 118.62 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 104' ' ' LEU . 2.6 mm? -76.52 -17.63 59.16 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -171.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -70.37 -4.05 20.44 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.114 0.483 . . . . 25.0 110.413 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.79 -0.24 12.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.048 -0.978 . . . . 25.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.0 mm -103.29 141.57 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.433 0.693 . . . . 25.0 109.758 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -108.84 -42.54 4.45 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 25.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 96.7 mttt -133.5 171.87 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.728 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.46 129.65 12.75 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 115.434 -0.803 . . . . 25.0 109.141 177.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.458 HE21 HD12 ' B' ' 546' ' ' LEU . 42.2 mt-30 -127.67 125.29 39.82 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.691 0.223 . . . . 25.0 110.854 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.52 151.9 35.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 58' ' ' MET . 9.2 t -67.75 120.57 74.54 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 122.987 0.515 . . . . 25.0 111.357 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.4 164.03 7.61 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.648 2.232 . . . . 25.0 113.176 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.25 -7.66 53.49 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.782 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -93.81 -18.06 22.43 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.922 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -73.54 139.5 45.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.733 -0.667 . . . . 25.0 112.223 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.19 -14.46 60.67 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.108 -0.951 . . . . 25.0 111.981 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -97.58 150.74 20.8 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.699 -1.137 . . . . 25.0 113.114 -170.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.675 ' HA ' HG21 ' A' ' 51' ' ' THR . 66.4 mtm -120.64 97.85 5.75 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.085 -0.961 . . . . 25.0 109.102 168.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.603 ' H ' ' CG2' ' A' ' 51' ' ' THR . 10.0 ptp -157.6 160.66 38.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.603 -174.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.1 tp -142.17 119.53 11.57 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.426 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.579 ' NE ' ' HD3' ' A' ' 86' ' ' ARG . 17.4 ttp180 -99.91 145.78 27.41 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.829 0.347 . . . . 25.0 111.138 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 3.8 mm? -127.86 114.1 16.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.598 -0.728 . . . . 25.0 109.86 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 6.1 mt -93.62 125.27 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.117 -170.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.65 166.33 41.35 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.542 -0.754 . . . . 25.0 113.472 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.2 118.55 26.68 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 84' ' ' PRO . 1.8 t -121.48 148.16 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 114.858 -1.065 . . . . 25.0 110.667 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -89.78 101.24 13.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.02 -0.991 . . . . 25.0 109.188 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.62 -1.87 58.03 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.6 p -79.16 -1.81 37.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.712 0.291 . . . . 25.0 111.729 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -97.19 34.51 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.784 -0.644 . . . . 25.0 110.874 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -46.02 121.79 3.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.159 0.984 . . . . 25.0 112.425 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -102.61 152.14 21.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.891 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.28 147.9 50.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.368 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.446 ' OD2' ' HB2' ' A' ' 78' ' ' ASN . 10.7 p30 -83.72 -175.72 5.95 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.294 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.38 -32.42 64.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.27 -11.91 36.72 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.17 8.5 Favored Glycine 0 C--N 1.34 0.784 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.8 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' HB2' ' OD2' ' A' ' 74' ' ' ASP . 72.7 m-20 -88.27 140.25 29.67 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.6 0.36 . . . . 25.0 110.41 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.8 tt0 -72.88 114.56 11.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.991 -175.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.2 100.63 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.039 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.6 t -98.05 127.04 38.1 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.137 -0.938 . . . . 25.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.45 128.68 20.76 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 25.0 112.696 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.4 151.85 38.91 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.52 -173.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.447 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.7 Cg_endo -70.86 153.45 63.89 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.938 2.425 . . . . 25.0 113.54 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -91.69 136.23 33.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.394 -0.821 . . . . 25.0 111.15 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.579 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 56.8 mtt85 -114.76 139.08 49.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.394 -173.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 -110.68 115.28 29.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.843 0.457 . . . . 25.0 110.829 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 94.8 mtp -96.61 147.06 24.27 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.678 0.275 . . . . 25.0 111.186 -176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -137.66 126.62 24.17 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.692 174.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -83.87 144.58 29.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.972 0.415 . . . . 25.0 111.299 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.32 176.1 8.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.786 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -122.13 -15.59 7.7 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.517 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -142.36 143.6 32.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.85 0.46 . . . . 25.0 111.106 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 94' ' ' ARG . 30.2 mmt-85 -79.5 -18.39 52.08 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.87 -0.604 . . . . 25.0 112.251 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.9 -19.34 57.54 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.378 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.75 -62.21 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptp -46.14 -39.84 10.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.4 -25.06 62.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.253 -0.431 . . . . 25.0 111.785 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.15 -32.84 19.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.003 0.521 . . . . 25.0 111.954 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.08 -53.5 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -54.21 -41.43 68.63 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.999 0.92 . . . . 25.0 112.156 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -53.0 58.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.105 0.562 . . . . 25.0 111.411 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.474 HG21 ' ND1' ' A' ' 3' ' ' HIS . 83.9 m -60.96 -56.95 15.03 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.278 0.361 . . . . 25.0 110.17 176.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.7 mt -43.66 -58.56 2.61 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.944 0.898 . . . . 25.0 110.8 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -50.38 -31.57 15.13 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -84.01 -20.32 32.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.974 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.73 -44.83 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.392 0.677 . . . . 25.0 111.471 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.3 -33.09 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.2 0.2 . . . . 25.0 110.893 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.6 p -65.35 -19.12 65.81 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.754 0.659 . . . . 25.0 111.767 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.84 -41.14 30.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.624 0.37 . . . . 25.0 110.71 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -83.87 -1.67 54.91 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.348 -0.842 . . . . 25.0 111.229 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -89.73 -30.5 17.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.157 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -89.43 -33.46 16.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.458 -0.792 . . . . 25.0 111.295 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.76 86.69 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.94 0.896 . . . . 25.0 112.431 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 58.6 t0 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.986 -1.006 . . . . 25.0 110.268 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.508 -0.237 . . . . 25.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.2 t -130.95 131.09 23.01 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-O 119.478 -0.296 . . . . 25.0 111.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.73 145.81 37.37 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.352 2.035 . . . . 25.0 113.249 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -140.48 171.79 23.84 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.976 -0.557 . . . . 25.0 113.019 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -104.3 107.86 58.7 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 122.451 0.3 . . . . 25.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -66.79 135.34 37.94 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.41 2.073 . . . . 25.0 112.916 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -118.05 133.65 55.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.882 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -148.5 68.91 0.35 Allowed Glycine 0 C--N 1.337 0.597 0 CA-C-N 115.867 -0.606 . . . . 25.0 112.56 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 89.7 mt -122.45 38.03 4.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.17 0.509 . . . . 25.0 111.569 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.03 -4.72 42.82 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.787 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 529' ' ' SER . . . . . 0.418 ' OG ' ' CG ' ' B' ' 533' ' ' ASP . 38.2 t -149.16 -71.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.782 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -164.47 -98.86 0.13 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 112.055 -0.418 . . . . 25.0 112.055 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -152.8 -26.6 0.16 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.709 -0.746 . . . . 25.0 111.349 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -96.76 4.95 51.5 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.515 -176.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 533' ' ' ASP . . . . . 0.418 ' CG ' ' OG ' ' B' ' 529' ' ' SER . 10.4 m-20 -92.3 -11.12 36.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.294 -0.867 . . . . 25.0 111.225 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.17 -17.63 20.69 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.0 p -87.24 -8.7 56.53 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 123.344 0.403 . . . . 25.0 111.736 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.9 p -85.16 -34.64 22.06 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.244 -0.434 . . . . 25.0 110.943 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 47.8 pt -88.38 -24.06 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.733 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -85.96 8.3 20.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.321 0.582 . . . . 25.0 111.466 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -90.41 -28.68 18.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.006 -0.997 . . . . 25.0 109.316 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.1 mmm -75.45 -17.82 60.05 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.497 -0.774 . . . . 25.0 110.958 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -79.09 -30.66 43.97 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.19 -0.914 . . . . 25.0 112.674 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -25.78 31.49 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -170.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.5 p -81.32 -16.58 52.01 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.014 0.375 . . . . 25.0 112.014 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.14 -11.63 37.89 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.69 -37.27 16.85 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.458 HD12 HE21 ' A' ' 49' ' ' GLN . 85.1 mt -78.79 -27.79 44.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.913 0.387 . . . . 25.0 111.153 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.0 p -98.27 -49.45 4.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.254 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 53.6 99.87 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.902 0.881 . . . . 25.0 112.706 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 84.9 mt -125.42 134.86 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.486 -0.779 . . . . 25.0 111.066 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 33.3 t -102.68 136.3 42.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.875 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.822 -0.609 . . . . 25.0 110.856 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 111.212 -0.341 . . . . 25.0 111.212 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 4' ' ' SER . 42.8 t -137.8 111.66 8.31 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.923 -0.581 . . . . 25.0 110.449 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 54.4 m170 -82.73 -5.29 58.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.917 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 2' ' ' SER . 85.6 p -146.97 146.22 30.02 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.119 -177.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.63 -118.34 0.65 Allowed Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.808 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.29 126.65 13.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.618 0.367 . . . . 25.0 110.334 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.26 152.51 41.78 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.4 mt -111.06 137.31 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.253 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -141.83 118.82 11.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.593 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 63.42 41.12 7.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.826 0.85 . . . . 25.0 111.909 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.23 -8.3 0.87 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.648 1.179 . . . . 25.0 113.51 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -92.98 119.69 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -80.12 135.59 36.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.438 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.37 -158.72 8.49 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.215 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -126.58 137.54 57.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.068 -0.566 . . . . 25.0 109.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.88 137.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.586 -178.253 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.06 44.64 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.148 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 92.7 mt -104.14 131.48 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.369 0.604 . . . . 25.0 110.771 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -98.91 105.31 17.44 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.026 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -122.94 167.72 13.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 69.59 5.47 5.2 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.628 0.771 . . . . 25.0 111.799 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.69 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 114.257 -1.338 . . . . 25.0 110.228 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -73.99 160.23 82.26 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 105.263 -2.125 . . . . 25.0 105.263 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -40.95 130.01 2.89 Favored 'Trans proline' 0 C--N 1.374 1.881 0 CA-C-N 122.32 1.864 . . . . 25.0 113.74 -139.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.44 139.09 20.52 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.043 -1.435 . . . . 25.0 113.3 -166.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.8 mt-10 -123.88 171.38 9.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 113.497 -1.683 . . . . 25.0 110.815 -169.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD11 HG12 ' A' ' 16' ' ' ILE . 25.7 tp -122.85 121.31 35.93 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.5 m -113.22 108.65 17.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.522 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.484 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.5 t90 -84.58 134.59 34.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.549 -0.75 . . . . 25.0 109.243 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.61 162.96 23.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.91 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.6 p -71.35 169.04 16.12 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -54.86 -30.34 57.54 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.61 0.596 . . . . 25.0 112.61 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.94 -31.35 11.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.551 170.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.86 18.79 11.81 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 115.641 -0.709 . . . . 25.0 113.92 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.2 p-10 -67.82 -29.68 68.9 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.73 0.412 . . . . 25.0 111.234 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -106.97 138.79 42.46 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.99 132.59 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 120.824 0.345 . . . . 25.0 111.775 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -127.39 148.83 50.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.586 -0.734 . . . . 25.0 109.542 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.93 143.3 50.84 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.127 0.489 . . . . 25.0 111.782 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 62' ' ' LEU . 46.7 t -129.85 107.48 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 114.998 -1.001 . . . . 25.0 109.447 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.7 120.98 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.606 HD11 HD22 ' A' ' 104' ' ' LEU . 2.7 mm? -74.89 -21.22 59.35 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -171.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -68.52 -3.64 12.3 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.267 0.556 . . . . 25.0 110.52 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.22 4.49 14.53 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.881 -1.054 . . . . 25.0 110.228 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -111.76 144.91 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.652 0.781 . . . . 25.0 109.769 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -114.19 -45.34 3.06 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.587 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 24.9 mtmm -132.17 168.42 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -176.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.94 129.03 14.56 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' HB3' HD11 ' B' ' 546' ' ' LEU . 84.6 mt-30 -130.03 114.58 15.97 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -114.18 154.86 27.11 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.52 123.6 89.73 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.666 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.3 165.56 7.16 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.94 2.427 . . . . 25.0 113.156 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.64 54.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.956 -0.565 . . . . 25.0 112.161 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.5 p -97.1 -17.22 20.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.023 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -70.92 140.6 51.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.653 -0.703 . . . . 25.0 112.765 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.666 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -59.73 -24.06 63.71 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.181 174.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' B' ' 541' ' ' ASP . 66.5 mttm -93.76 153.99 18.01 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.31 -1.313 . . . . 25.0 113.137 -169.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm -125.37 97.86 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.935 -1.029 . . . . 25.0 108.894 169.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.68 ' SD ' ' HB3' ' A' ' 88' ' ' MET . 4.4 ttm -156.04 154.43 31.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.606 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 49.2 tp -136.93 118.9 15.29 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.183 -0.917 . . . . 25.0 108.963 176.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 14.5 mtm180 -101.12 146.97 26.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.264 0.554 . . . . 25.0 111.824 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 22.1 mt -127.0 103.48 7.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.618 -1.173 . . . . 25.0 109.494 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 88.7 mt -84.95 129.62 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.78 -0.645 . . . . 25.0 109.576 -174.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.9 162.45 31.32 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.446 -0.797 . . . . 25.0 113.522 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.78 119.61 22.92 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.245 0.545 . . . . 25.0 111.255 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.43 138.5 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.928 -1.033 . . . . 25.0 111.254 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -93.58 89.8 6.4 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.105 171.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -84.66 -1.17 55.72 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.421 -0.809 . . . . 25.0 112.288 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -79.76 -18.8 50.2 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.803 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.32 23.22 1.34 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.235 0.614 . . . . 25.0 111.235 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HB3' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -48.02 135.6 12.52 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -173.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -104.77 156.27 18.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.975 -1.011 . . . . 25.0 110.501 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.73 140.93 52.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 25.0 109.694 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -80.08 -172.0 3.22 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.183 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.78 -31.77 62.89 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -89.97 -22.57 21.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 16.85 12.33 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.443 -0.408 . . . . 25.0 113.387 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -86.63 149.56 24.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.34 118.09 16.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 -173.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.18 99.94 6.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.104 -0.953 . . . . 25.0 109.144 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 71' ' ' LYS . 11.9 t -99.21 128.16 32.69 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.9 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -58.05 133.79 57.9 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.788 2.325 . . . . 25.0 112.943 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -89.02 154.88 49.83 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.363 -0.835 . . . . 25.0 112.139 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.87 152.71 79.94 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.713 2.275 . . . . 25.0 113.311 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -92.41 130.78 37.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 111.246 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -118.58 120.12 36.55 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.928 -0.578 . . . . 25.0 110.718 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 4.5 m80 -99.78 113.04 25.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.969 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.68 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 2.8 mtt -102.23 142.58 33.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.265 -175.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -133.49 126.52 31.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.386 -0.825 . . . . 25.0 109.829 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.6 m -83.39 146.23 28.57 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.841 0.353 . . . . 25.0 111.207 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -129.47 175.78 8.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.965 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -122.36 -14.92 7.77 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.623 -0.717 . . . . 25.0 110.922 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -143.38 143.83 31.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.789 0.436 . . . . 25.0 110.935 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.86 -18.38 47.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.549 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -76.98 -19.36 57.41 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.274 0.359 . . . . 25.0 111.112 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -82.3 -63.16 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.9 ptp -46.82 -39.63 12.27 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 102' ' ' MET . 92.9 m-20 -69.63 -26.92 64.65 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.475 0.484 . . . . 25.0 111.759 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -87.28 -30.84 20.58 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 123.447 0.467 . . . . 25.0 112.171 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -70.77 -54.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -52.18 -42.23 63.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.213 1.005 . . . . 25.0 112.166 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 53.1 ttm -53.98 -53.5 52.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.17 0.588 . . . . 25.0 111.603 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.97 -57.8 11.3 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.28 0.363 . . . . 25.0 110.189 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.54 -58.8 2.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.139 0.976 . . . . 25.0 111.161 176.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -50.35 -31.72 15.39 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.166 0.986 . . . . 25.0 113.534 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -82.34 -20.3 37.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.007 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.9 mt -83.06 -43.77 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.446 0.698 . . . . 25.0 111.616 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.37 -35.83 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.128 0.171 . . . . 25.0 111.089 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -63.7 -17.73 63.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.618 0.574 . . . . 25.0 111.743 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -78.14 -43.58 28.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.763 0.425 . . . . 25.0 110.906 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.46 -3.33 55.57 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.227 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -86.68 -31.88 20.81 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.809 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -93.91 -22.71 18.44 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.221 -0.899 . . . . 25.0 111.015 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -120.13 67.18 0.83 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.689 0.757 . . . . 25.0 110.789 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.916 -1.04 . . . . 25.0 110.376 179.53 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.481 -0.248 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.2 t 61.6 120.05 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 25.0 112.228 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.13 -27.38 13.9 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.344 2.029 . . . . 25.0 113.899 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 105.41 -98.58 1.46 Allowed Glycine 0 C--N 1.34 0.804 0 O-C-N 123.413 0.446 . . . . 25.0 112.658 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -117.6 113.27 38.5 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 119.511 -0.28 . . . . 25.0 110.816 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.07 139.16 77.13 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.578 2.185 . . . . 25.0 113.157 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -119.1 140.66 49.74 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.949 -0.569 . . . . 25.0 110.535 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 148.77 -160.12 28.27 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.741 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.2 mt -118.63 24.94 10.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.854 0.359 . . . . 25.0 111.758 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.72 -2.97 25.54 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.111 0.482 . . . . 25.0 111.475 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 40.7 t -156.85 115.15 3.27 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.064 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -100.99 -99.05 2.34 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.194 -0.526 . . . . 25.0 112.662 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -132.11 2.11 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.758 -0.721 . . . . 25.0 111.618 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -125.96 8.49 7.42 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.912 0.485 . . . . 25.0 112.234 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -109.37 8.47 25.48 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.205 -173.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.38 -19.01 24.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 94.3 p -89.52 -3.11 58.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.386 0.429 . . . . 25.0 111.943 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.5 p -86.18 -33.52 20.77 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.754 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -91.7 -26.9 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.74 -0.664 . . . . 25.0 110.66 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.34 7.39 29.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.316 0.579 . . . . 25.0 111.466 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -30.07 11.97 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.997 -1.002 . . . . 25.0 109.162 173.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.1 mmm -71.67 -19.8 62.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.333 -0.848 . . . . 25.0 110.639 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 8.7 m-20 -73.24 -33.4 65.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.749 -1.114 . . . . 25.0 113.061 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.44 ' CD1' ' HD3' ' A' ' 61' ' ' ARG . 44.1 m-85 -81.61 -31.24 32.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -171.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -69.29 -29.24 67.07 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.19 -11.44 38.33 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.3 0.375 . . . . 25.0 111.3 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' B' ' 548' ' ' GLN . 2.9 mt -86.81 -33.53 19.83 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.767 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 49' ' ' GLN . 93.4 mt -88.96 -22.97 22.79 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.861 0.363 . . . . 25.0 111.056 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -90.9 -51.77 5.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.092 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 545' ' ' LEU . 91.1 mt-30 49.87 68.28 0.77 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.838 0.855 . . . . 25.0 112.737 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 84.8 mt -125.52 127.88 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.631 -0.713 . . . . 25.0 109.659 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 47.7 t 61.89 129.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.173 0.989 . . . . 25.0 112.505 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.252 1.207 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.701 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 N--CA 1.484 0.923 0 N-CA-C 111.72 -0.146 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -135.19 -170.38 2.57 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.367 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.732 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER 77.16 -48.83 0.53 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.098 1.359 . . . . 25.0 112.537 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 30.4 t -129.73 140.43 51.09 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.219 0.533 . . . . 25.0 112.09 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -156.12 -116.76 0.54 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 114.725 -1.125 . . . . 25.0 111.662 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.27 129.31 15.47 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 122.579 0.352 . . . . 25.0 110.519 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.72 149.96 36.48 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.74 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 64.1 mt -106.56 140.61 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -144.01 123.03 12.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 25.0 109.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 57.45 41.83 25.51 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.891 0.877 . . . . 25.0 112.061 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 70.85 -3.01 2.1 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.669 1.188 . . . . 25.0 113.027 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -92.06 122.3 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -81.14 132.27 35.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.125 -0.488 . . . . 25.0 110.212 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.97 -163.28 11.03 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.137 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -122.69 136.87 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 115.017 -0.592 . . . . 25.0 109.762 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.4 tt -100.43 140.38 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.167 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 146.2 45.54 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.016 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 3' ' ' HIS . 74.5 mt -104.32 140.23 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.571 0.7 . . . . 25.0 110.582 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.3 t-20 -110.26 99.48 8.51 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.045 -1.434 . . . . 25.0 110.612 -174.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.53 167.84 12.4 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.78 1.25 3.94 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.015 0.926 . . . . 25.0 110.541 -172.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -103.54 -172.68 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 114.635 -1.166 . . . . 25.0 110.096 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.03 161.59 77.78 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 106.214 -1.772 . . . . 25.0 106.214 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.96 129.36 4.21 Favored 'Trans proline' 0 C--N 1.372 1.802 0 CA-C-N 121.902 1.715 . . . . 25.0 113.255 -142.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.03 134.71 13.57 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.139 -1.391 . . . . 25.0 113.033 -165.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -130.89 139.63 50.13 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.941 -1.027 . . . . 25.0 112.951 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 62' ' ' LEU . 37.7 tp -95.69 109.14 21.46 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -102.76 107.07 17.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.084 -1.416 . . . . 25.0 110.54 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -84.5 136.5 33.79 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.518 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' HG13 ' A' ' 37' ' ' VAL . 82.3 mtm180 -127.88 159.91 33.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.215 174.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 86.6 p -70.85 169.14 15.29 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -28.07 61.22 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.722 0.692 . . . . 25.0 112.535 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -99.55 -29.99 12.4 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.291 -0.413 . . . . 25.0 109.985 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.42 18.64 20.73 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-N 115.584 -0.734 . . . . 25.0 113.63 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.35 -28.48 65.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.468 0.307 . . . . 25.0 110.595 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 73.6 tttt -109.98 128.19 55.24 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' A' ' 30' ' ' ARG . 45.8 t -139.25 128.38 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 116.297 -0.411 . . . . 25.0 111.486 -175.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.21 149.76 41.75 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.503 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.0 142.99 50.73 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.118 0.485 . . . . 25.0 111.506 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.7 t -132.02 106.95 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.225 -0.898 . . . . 25.0 109.955 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.43 117.25 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 104' ' ' LEU . 2.0 mm? -74.66 -18.3 60.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.68 -3.97 17.52 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.038 0.447 . . . . 25.0 110.779 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -115.1 7.89 15.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.24 -0.891 . . . . 25.0 110.139 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 32.5 mm -114.68 137.19 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.709 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -107.93 -42.04 4.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.397 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.8 mttt -132.99 170.28 15.6 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.69 126.12 10.12 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 90.9 mt-30 -127.32 117.95 23.23 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.506 0.194 . . . . 25.0 110.926 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.18 160.15 17.87 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.289 0.477 . . . . 25.0 112.289 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 57' ' ' LYS . 50.0 p -77.57 121.55 84.51 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.008 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.37 165.98 3.84 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.971 2.448 . . . . 25.0 113.344 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -10.87 60.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.704 -0.68 . . . . 25.0 112.03 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -99.34 -8.57 24.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.977 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -78.46 139.75 38.68 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.142 0.496 . . . . 25.0 112.116 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.758 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.1 mp0 -61.52 -16.69 49.91 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.977 -1.011 . . . . 25.0 111.791 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HB3' HG21 ' A' ' 51' ' ' THR . 40.2 mttm -99.39 157.29 16.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.654 -1.157 . . . . 25.0 112.977 -173.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.0 mtm -133.31 100.86 4.97 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.757 -1.11 . . . . 25.0 110.07 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.558 ' O ' ' SD ' ' A' ' 97' ' ' MET . 65.5 mtt -157.55 156.13 31.43 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.606 -1.179 . . . . 25.0 111.074 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 51.7 tp -135.6 118.57 16.34 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.166 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 88' ' ' MET . 62.9 mtt-85 -103.66 142.84 33.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.069 0.461 . . . . 25.0 111.606 -176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 66.7 mt -124.33 106.19 10.05 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.108 -178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -85.53 134.69 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.203 -173.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.7 159.94 27.28 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 115.886 -0.597 . . . . 25.0 113.878 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -84.48 112.2 20.17 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.447 0.642 . . . . 25.0 112.105 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 84' ' ' PRO . 2.5 t -122.53 149.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.508 -1.223 . . . . 25.0 110.821 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -95.59 103.04 14.9 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.146 -0.933 . . . . 25.0 109.789 174.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -84.8 -1.82 56.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.581 -0.736 . . . . 25.0 112.118 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -80.4 -22.95 40.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.919 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.02 132.63 35.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.775 0.43 . . . . 25.0 111.357 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.9 128.03 43.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.689 -0.687 . . . . 25.0 111.391 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 36.4 ttp85 -111.98 153.15 27.23 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.927 -0.579 . . . . 25.0 109.674 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.62 140.76 51.61 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.359 -0.382 . . . . 25.0 109.98 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.25 -174.99 4.84 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.458 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.01 -31.95 69.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.22 -30.51 57.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.06 15.86 13.64 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.285 0.366 . . . . 25.0 113.358 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.8 149.39 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.441 0.296 . . . . 25.0 110.527 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.3 pm0 -76.27 109.66 10.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.332 0.587 . . . . 25.0 111.341 -174.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 99.5 t -117.38 119.6 62.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.918 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.0 127.17 41.85 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 119.365 -0.35 . . . . 25.0 110.569 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -66.0 126.5 15.96 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.937 2.425 . . . . 25.0 113.71 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.99 155.65 37.28 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.581 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -71.76 147.03 49.66 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.809 2.339 . . . . 25.0 114.105 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.17 138.92 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.516 -1.22 . . . . 25.0 110.846 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' B' ' 539' ' ' ASP . 89.7 mtt180 -115.71 135.49 53.99 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.607 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 93.9 m-70 -107.3 112.74 25.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.586 0.354 . . . . 25.0 110.675 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.548 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 65.7 ttp -99.95 142.15 31.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.178 -175.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.94 127.97 29.64 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.567 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.74 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.0 144.45 29.94 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.052 0.454 . . . . 25.0 111.464 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -128.67 173.61 10.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.612 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -122.73 -14.49 7.7 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.824 -0.626 . . . . 25.0 112.271 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -148.83 126.01 11.43 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 120.862 0.363 . . . . 25.0 110.926 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 -56.06 -21.81 24.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -72.87 -33.52 66.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.149 0.28 . . . . 25.0 111.062 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.35 -61.91 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.6 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.3 ttp -49.66 -26.52 3.76 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -84.68 -27.2 27.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.45 -30.83 42.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.462 0.305 . . . . 25.0 111.746 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.0 mm -75.32 -54.47 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -54.13 -41.75 68.73 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.781 0.832 . . . . 25.0 112.54 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.2 ttp -55.6 -54.26 46.28 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.32 0.387 . . . . 25.0 111.632 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -55.12 -58.09 9.06 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.273 0.358 . . . . 25.0 110.049 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.591 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.75 1.68 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.869 0.868 . . . . 25.0 110.863 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -52.76 -28.34 21.87 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.846 0.858 . . . . 25.0 113.077 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -86.31 -20.31 28.55 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.973 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 96.6 mt -83.69 -41.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 C-N-CA 123.4 0.68 . . . . 25.0 111.552 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.8 mt -70.24 -33.79 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.143 0.177 . . . . 25.0 110.933 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.84 -17.14 64.0 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.749 0.656 . . . . 25.0 111.587 174.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -79.93 -39.19 30.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.746 173.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 90.3 m-85 -86.78 -2.83 58.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.257 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 28.2 tptp -86.68 -28.37 23.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.43 -0.804 . . . . 25.0 110.066 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -93.1 -17.32 23.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.375 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.04 -13.01 59.22 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.724 -0.655 . . . . 25.0 110.77 -179.77 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.407 -0.277 . . . . 25.0 112.407 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.3 t -107.3 127.06 28.61 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 122.317 0.247 . . . . 25.0 110.857 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -73.05 -16.91 25.31 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.37 2.047 . . . . 25.0 113.829 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 123.54 -94.47 0.5 Allowed Glycine 0 C--N 1.339 0.728 0 O-C-N 123.476 0.485 . . . . 25.0 112.487 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -113.25 91.69 20.06 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 123.618 0.246 . . . . 25.0 110.733 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.29 107.85 2.23 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.608 2.205 . . . . 25.0 112.934 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -142.42 126.37 17.25 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.743 -0.662 . . . . 25.0 110.141 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.05 13.01 10.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.9 -0.591 . . . . 25.0 113.454 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.423 HD22 ' HB2' ' B' ' 533' ' ' ASP . 51.2 mt -121.07 30.03 7.05 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.027 0.441 . . . . 25.0 111.552 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.9 mt -82.14 7.35 13.75 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.275 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 91.5 p -126.81 -41.71 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.279 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.44 15.18 41.74 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.108 -0.496 . . . . 25.0 113.614 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -126.79 1.57 6.71 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.834 0.317 . . . . 25.0 111.008 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.4 8.42 44.64 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.425 0.528 . . . . 25.0 112.425 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 533' ' ' ASP . . . . . 0.423 ' HB2' HD22 ' B' ' 527' ' ' LEU . 38.5 t70 -110.37 -17.29 13.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.12 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -93.4 -4.94 50.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.7 p -85.52 -3.59 58.91 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.492 0.317 . . . . 25.0 111.617 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.8 p -89.09 -34.96 16.56 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.05 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.82 -22.74 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.471 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.61 6.49 34.28 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.5 0.667 . . . . 25.0 110.469 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' A' ' 86' ' ' ARG . 1.1 m-20 -91.34 -29.01 17.36 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.55 -1.204 . . . . 25.0 109.069 172.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.1 mmm -70.21 -21.58 63.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.087 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -29.16 37.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.075 -0.966 . . . . 25.0 113.102 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -18.38 45.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 65.1 p -83.06 -31.36 27.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.44 -4.56 56.91 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.391 0.432 . . . . 25.0 110.898 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.438 HD21 HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -87.0 -32.94 19.77 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.513 -0.767 . . . . 25.0 111.731 -178.142 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 36.6 mt -87.52 -36.95 17.32 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.965 0.412 . . . . 25.0 110.923 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 47.7 t -83.13 91.95 7.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.122 -0.944 . . . . 25.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.53 91.21 2.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 79.5 mt -102.28 -46.43 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.446 -0.797 . . . . 25.0 111.718 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 43.4 t 55.66 110.09 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.048 0.939 . . . . 25.0 112.575 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.99 -1.005 . . . . 25.0 110.885 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo . . . . . 0 N--CA 1.489 1.23 0 N-CA-C 111.86 -0.092 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -139.73 68.63 1.36 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.67 0.748 . . . . 25.0 110.181 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 3.1 m-70 -94.26 -13.08 26.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.089 -0.96 . . . . 25.0 110.923 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 84.6 p -138.53 147.78 43.49 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.002 -0.545 . . . . 25.0 111.939 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -154.29 -112.44 0.46 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.066 -0.97 . . . . 25.0 111.729 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.23 127.96 10.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.641 0.376 . . . . 25.0 110.494 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.95 151.21 37.44 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.864 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 90.9 mt -109.82 141.03 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.507 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -148.67 115.42 5.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 12' ' ' VAL . 93.9 mt-10 61.87 52.34 3.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.562 0.745 . . . . 25.0 111.366 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt 55.56 3.47 0.08 Allowed 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.577 1.551 . . . . 25.0 114.258 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 10' ' ' GLU . 98.1 t -101.72 115.03 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 170.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.405 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -77.33 138.36 39.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.306 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -161.0 10.09 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.285 -0.87 . . . . 25.0 113.144 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -123.74 139.67 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 114.97 -0.615 . . . . 25.0 109.513 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 4' ' ' SER . 8.2 tt -100.86 137.07 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.409 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.24 145.81 44.04 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.382 0.426 . . . . 25.0 111.266 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 96.7 mt -103.77 131.94 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.224 0.535 . . . . 25.0 110.265 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -100.69 106.15 17.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.67 -1.15 . . . . 25.0 111.19 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.73 167.77 12.57 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 72.17 2.72 4.42 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.89 0.876 . . . . 25.0 110.629 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 23' ' ' SER . 29.3 m -102.98 -172.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 114.677 -1.147 . . . . 25.0 110.336 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.3 p -73.39 159.76 84.06 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 171.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.96 129.82 2.9 Favored 'Trans proline' 0 C--N 1.374 1.882 0 CA-C-N 122.206 1.824 . . . . 25.0 113.692 -139.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.68 137.77 11.69 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.139 -1.392 . . . . 25.0 113.243 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 41' ' ' VAL . 9.4 mt-10 -124.47 172.09 9.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.566 -1.652 . . . . 25.0 111.195 -168.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.647 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.7 tp -125.76 109.98 13.2 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 172.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -110.01 110.34 21.23 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.167 -170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -85.49 134.11 34.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.478 -0.783 . . . . 25.0 109.57 170.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -128.3 156.89 42.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.776 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.4 p -68.02 168.34 12.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -56.74 -27.96 60.24 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.429 0.559 . . . . 25.0 112.359 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -99.95 -28.0 13.3 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.195 -0.457 . . . . 25.0 109.98 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.13 18.05 25.53 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.615 -0.721 . . . . 25.0 113.497 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -69.86 -29.73 67.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.594 0.358 . . . . 25.0 110.763 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 99.6 mttt -110.48 138.19 47.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.61 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.63 134.22 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-O 120.816 0.341 . . . . 25.0 111.781 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -127.75 145.99 50.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.381 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -129.32 129.19 44.52 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.03 0.443 . . . . 25.0 112.118 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.8 t -112.27 107.59 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.242 -0.89 . . . . 25.0 109.836 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.0 t -82.92 122.82 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.28 -23.45 57.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -170.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.459 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 94.8 p -67.38 -3.58 8.65 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.163 0.506 . . . . 25.0 110.922 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -114.93 4.33 14.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.889 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -113.31 141.97 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.297 -0.865 . . . . 25.0 109.587 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.25 -40.09 3.74 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.288 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 95.1 mttt -133.39 169.63 16.65 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -176.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.5 130.46 13.39 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.393 -0.821 . . . . 25.0 108.848 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -128.77 119.63 24.9 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.36 0.124 . . . . 25.0 110.865 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.0 149.69 34.98 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -67.65 120.0 70.14 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.359 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.12 164.13 5.38 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.732 2.288 . . . . 25.0 113.349 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.33 56.06 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.75 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.51 -9.91 26.25 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.606 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.42 138.19 37.53 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.883 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.2 mp0 -63.02 -15.61 57.03 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.204 -0.907 . . . . 25.0 111.938 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HD2' HD11 ' B' ' 545' ' ' LEU . 12.5 mttp -97.29 153.3 18.13 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.704 -1.134 . . . . 25.0 113.203 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.4 ' C ' ' HG3' ' A' ' 59' ' ' MET . 76.3 mtm -124.32 98.13 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.103 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.1 mtt -155.98 154.75 31.59 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.485 -175.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 40.8 tp -134.55 119.78 18.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.47 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.784 HH21 ' HB3' ' A' ' 86' ' ' ARG . 48.8 mtp180 -101.26 146.52 27.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.669 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -128.36 111.62 13.54 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.119 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 45' ' ' ILE . 49.6 mm -85.02 138.55 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 25.0 110.727 -174.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.12 157.25 24.04 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.183 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -80.05 117.26 20.72 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.451 0.643 . . . . 25.0 112.697 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG21 ' HA ' ' A' ' 84' ' ' PRO . 4.3 t -120.78 144.25 30.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 114.471 -1.24 . . . . 25.0 110.363 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -90.78 107.4 19.16 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.339 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -85.98 -1.35 57.25 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.6 p -77.95 -4.33 46.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.638 0.375 . . . . 25.0 111.751 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -92.2 34.36 1.03 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.296 0.638 . . . . 25.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -46.18 127.0 8.31 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.436 1.094 . . . . 25.0 113.294 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -107.71 151.78 25.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.972 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.13 143.67 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.284 0.365 . . . . 25.0 110.413 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -82.5 -169.46 2.46 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.765 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.37 -31.71 64.07 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.77 -21.1 21.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.5 17.57 13.33 Favored Glycine 0 C--N 1.342 0.875 0 C-N-CA 121.402 -0.428 . . . . 25.0 113.435 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -87.83 145.92 25.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 81' ' ' VAL . 29.2 tt0 -72.93 114.8 11.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 25.0 111.353 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 100.76 11.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.003 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.0 t -93.44 127.85 44.77 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.566 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -64.58 129.25 23.17 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.91 2.407 . . . . 25.0 112.236 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.73 149.53 36.57 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.347 -0.842 . . . . 25.0 112.696 -170.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -69.24 153.07 71.87 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 123.118 2.545 . . . . 25.0 113.862 176.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -91.99 152.15 20.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.102 -0.954 . . . . 25.0 111.529 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.784 ' HB3' HH21 ' A' ' 61' ' ' ARG . 0.0 OUTLIER -109.46 153.47 24.0 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.342 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 94.0 m-70 -125.21 110.63 14.3 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 173.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 39.2 ttm -108.69 136.87 47.56 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.453 0.644 . . . . 25.0 111.944 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -117.92 165.72 13.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.187 -1.369 . . . . 25.0 108.794 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.864 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 70.1 m -117.94 145.23 44.84 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.917 0.389 . . . . 25.0 110.534 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.1 m-85 -128.71 175.56 8.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.053 -173.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.19 -13.96 7.12 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.958 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -143.28 143.54 31.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.652 0.381 . . . . 25.0 110.843 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -80.97 -18.68 46.14 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -77.93 -19.41 54.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.086 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.49 -62.13 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.75 -40.16 19.8 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.55 -25.25 63.01 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.464 0.478 . . . . 25.0 111.756 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.29 -32.94 19.42 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.536 0.522 . . . . 25.0 112.1 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.13 -53.2 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -52.78 -42.61 65.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.949 0.9 . . . . 25.0 111.963 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.2 ttp -52.14 -54.3 32.25 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.273 0.629 . . . . 25.0 111.777 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.9 m -59.96 -57.24 13.72 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 62' ' ' LEU . 95.8 mt -43.47 -58.63 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.134 0.974 . . . . 25.0 111.043 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -50.32 -32.74 17.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.069 0.948 . . . . 25.0 113.232 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -82.28 -20.33 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.185 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.618 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.0 mt -83.94 -41.29 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.332 0.653 . . . . 25.0 111.668 177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.562 HG13 HD13 ' A' ' 42' ' ' LEU . 58.4 mt -69.86 -35.6 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 120.495 0.188 . . . . 25.0 110.805 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -63.92 -18.31 64.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.773 -0.648 . . . . 25.0 111.756 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -77.3 -40.62 43.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.72 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 72.6 m-85 -86.04 -0.82 56.49 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.308 176.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -91.15 -29.89 17.01 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.31 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -88.59 -34.39 17.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.22 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.64 88.84 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.014 0.925 . . . . 25.0 112.557 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 t0 . . . . . 0 C--O 1.253 1.281 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.812 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.489 -0.244 . . . . 25.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.4 t -112.45 126.37 28.47 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-O 119.543 -0.265 . . . . 25.0 110.77 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.49 135.37 20.02 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.343 2.029 . . . . 25.0 113.408 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 143.75 -123.83 2.13 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.987 -0.551 . . . . 25.0 112.74 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -123.02 86.62 50.99 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.98 11.81 1.35 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.767 2.312 . . . . 25.0 114.105 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 65.08 165.62 0.16 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.899 0.88 . . . . 25.0 111.882 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -91.74 59.88 2.85 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 116.052 -0.522 . . . . 25.0 112.836 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 86.8 mt -126.71 119.54 27.2 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 87.7 mt -115.5 -4.67 12.26 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.928 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 33.8 t -165.53 -53.86 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.256 -0.883 . . . . 25.0 110.044 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 68.0 71.24 0.98 Allowed Glycine 0 C--N 1.346 1.113 0 O-C-N 123.22 0.325 . . . . 25.0 113.098 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -134.04 -3.02 2.84 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -106.32 -9.78 16.65 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.087 0.47 . . . . 25.0 111.909 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -116.74 -28.4 6.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.955 -1.02 . . . . 25.0 110.904 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.425 ' HD2' HD11 ' B' ' 537' ' ' ILE . 96.7 m-85 -91.03 -1.29 57.83 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.098 -0.501 . . . . 25.0 112.104 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.9 p -80.89 -4.19 53.96 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.698 0.285 . . . . 25.0 111.519 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -87.31 -35.94 18.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.841 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 537' ' ' ILE . . . . . 0.425 HD11 ' HD2' ' B' ' 534' ' ' PHE . 43.8 pt -90.74 -20.31 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.884 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -83.13 10.0 9.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.326 0.584 . . . . 25.0 111.59 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.634 ' OD1' ' HD3' ' A' ' 86' ' ' ARG . 57.9 m-20 -92.91 -29.05 16.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.952 -1.022 . . . . 25.0 109.461 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.6 mmm -75.73 -18.18 59.66 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.841 169.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -74.44 -32.2 62.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.972 -1.013 . . . . 25.0 112.667 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -21.46 45.8 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.318 0.858 . . . . 25.0 113.318 -171.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.6 p -83.34 -16.89 44.37 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.744 0.275 . . . . 25.0 111.744 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.65 25.37 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.921 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.531 HD11 ' HD2' ' A' ' 57' ' ' LYS . 85.4 mt -86.53 -35.74 19.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.535 0.568 . . . . 25.0 112.535 -177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.22 -24.99 39.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.875 0.369 . . . . 25.0 110.803 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 85.1 p -91.86 -57.25 2.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.321 -0.854 . . . . 25.0 110.801 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 53.18 100.03 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.948 0.899 . . . . 25.0 112.834 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 60.4 mt -131.99 142.8 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.319 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 63.3 m 68.67 -58.13 0.49 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.579 1.152 . . . . 25.0 112.595 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.908 -1.044 . . . . 25.0 110.996 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 1.535 ' CD ' ' CG ' ' A' ' 1' ' ' PRO . 70.9 Cg_exo . . . . . 0 N--CA 1.486 1.069 0 N-CA-C 111.27 -0.319 . . . . 25.0 111.27 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 4' ' ' SER . 36.0 p -121.69 -36.3 3.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.784 -0.643 . . . . 25.0 111.531 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.532 ' HA ' HD12 ' A' ' 18' ' ' ILE . 97.6 m-70 69.78 -31.66 0.22 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.406 1.082 . . . . 25.0 112.604 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -131.61 142.07 49.8 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.925 0.393 . . . . 25.0 111.026 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 -113.98 0.66 Allowed Glycine 0 C--N 1.335 0.48 0 CA-C-N 115.247 -0.888 . . . . 25.0 111.959 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.99 125.33 9.44 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.694 0.398 . . . . 25.0 110.303 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.59 151.89 40.73 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.315 0.487 . . . . 25.0 112.315 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -110.27 138.19 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.305 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -140.87 116.28 10.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.841 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 62.68 42.31 8.39 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.908 0.883 . . . . 25.0 112.06 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm 70.07 -5.96 1.19 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.71 1.204 . . . . 25.0 113.928 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' HE2' ' A' ' 36' ' ' LYS . 78.6 t -95.21 116.96 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -79.22 137.86 37.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.439 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.53 -158.75 8.84 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.254 -0.885 . . . . 25.0 113.108 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -125.87 138.49 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.63 137.71 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.551 -178.118 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.46 139.71 40.78 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.368 0.417 . . . . 25.0 111.304 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.7 mt -97.55 132.71 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.031 0.443 . . . . 25.0 110.13 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -101.62 105.1 15.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.052 -0.976 . . . . 25.0 111.248 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.97 167.91 12.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.309 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.13 2.64 4.39 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 123.74 0.816 . . . . 25.0 111.65 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.91 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.031 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -73.5 165.84 49.36 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.39 129.08 3.42 Favored 'Trans proline' 0 C--N 1.376 1.998 0 CA-C-N 122.46 1.914 . . . . 25.0 113.228 -142.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.46 141.0 16.56 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.3 -1.318 . . . . 25.0 113.008 -165.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.54 172.06 10.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.767 -1.56 . . . . 25.0 111.225 -167.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD23 ' CD1' ' A' ' 62' ' ' LEU . 48.4 tp -127.19 107.73 10.27 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -107.97 109.6 21.12 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.165 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.563 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 86.4 t90 -85.85 133.5 33.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.624 171.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -126.68 157.27 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.565 -0.743 . . . . 25.0 109.73 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.6 p -67.8 169.32 9.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -57.0 -28.24 62.26 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.99 -28.74 12.92 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.963 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.22 18.25 24.73 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.618 -0.719 . . . . 25.0 113.647 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' A' ' 31' ' ' SER . 12.8 p-10 -70.61 -30.91 67.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.536 0.334 . . . . 25.0 110.615 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.6 mttp -105.22 137.67 42.63 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.51 134.05 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-O 120.786 0.327 . . . . 25.0 111.76 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -128.75 146.45 50.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.651 -0.704 . . . . 25.0 109.566 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.01 127.29 41.32 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.892 0.377 . . . . 25.0 111.834 -175.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.6 t -110.97 107.66 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.347 -0.842 . . . . 25.0 110.106 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.8 t -82.05 122.63 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.31 -23.27 59.04 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -171.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.9 p -66.83 -10.87 52.56 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.849 0.357 . . . . 25.0 111.364 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -115.2 13.52 16.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.699 173.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' ILE . 25.3 mm -109.6 142.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.402 -0.817 . . . . 25.0 108.801 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.54 -48.69 2.99 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.284 0.365 . . . . 25.0 111.673 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.9 mttt -131.67 170.11 15.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 122.565 0.346 . . . . 25.0 110.794 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 104' ' ' LEU . 61.7 mt -146.72 132.6 19.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' CD ' HD12 ' B' ' 546' ' ' LEU . 29.9 mt-30 -129.57 114.37 15.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.83 0.308 . . . . 25.0 111.83 -176.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.2 156.0 26.15 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.884 HG21 ' HA ' ' A' ' 58' ' ' MET . 10.4 t -71.22 123.78 89.91 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 123.242 0.617 . . . . 25.0 111.693 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 42.3 Cg_exo -59.22 164.63 10.24 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.728 2.285 . . . . 25.0 113.066 174.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.98 58.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.998 -0.546 . . . . 25.0 112.032 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -94.52 -17.41 22.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.092 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 44.5 t -72.15 140.27 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.64 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.656 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.16 -16.99 64.11 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.012 -0.995 . . . . 25.0 111.87 176.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -95.46 156.56 16.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.904 -172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.884 ' HA ' HG21 ' A' ' 51' ' ' THR . 71.7 mtm -128.33 98.18 4.98 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.059 -0.973 . . . . 25.0 109.046 169.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.544 ' H ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -156.54 155.21 31.54 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.524 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.76 118.43 14.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.047 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.688 ' HD2' ' HB3' ' A' ' 86' ' ' ARG . 53.3 ttp180 -104.21 142.46 34.48 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.291 0.567 . . . . 25.0 111.798 -176.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 27' ' ' LEU . 13.7 mt -121.12 105.73 10.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' HG2' ' A' ' 86' ' ' ARG . 81.6 mt -86.15 135.97 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.891 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.52 165.59 26.16 Favored Glycine 0 C--N 1.336 0.535 0 CA-C-N 115.728 -0.669 . . . . 25.0 113.746 -173.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -87.07 132.22 33.89 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.92 0.488 . . . . 25.0 110.915 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.53 132.08 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.001 -0.545 . . . . 25.0 111.408 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.33 91.89 3.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 169.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -85.38 -1.55 57.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 -174.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -75.46 -7.23 53.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.811 0.339 . . . . 25.0 111.705 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.57 36.1 1.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.713 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -45.39 122.24 3.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.086 0.955 . . . . 25.0 112.854 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -103.1 154.11 19.62 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.853 -1.067 . . . . 25.0 109.905 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.74 146.73 50.11 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.272 0.357 . . . . 25.0 110.11 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -88.22 -168.56 2.25 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.782 -0.645 . . . . 25.0 111.784 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.2 -31.72 65.74 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -91.28 -22.13 20.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.61 25.0 7.11 Favored Glycine 0 C--N 1.34 0.767 0 C-N-CA 121.525 -0.369 . . . . 25.0 113.3 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -93.35 145.65 24.31 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.6 tt0 -72.49 112.25 8.38 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.051 0.453 . . . . 25.0 111.356 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.48 101.15 12.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.107 -0.952 . . . . 25.0 109.306 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.6 t -91.59 127.93 48.5 Favored Pre-proline 0 CA--C 1.551 1.01 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.524 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.69 133.69 46.64 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.089 2.526 . . . . 25.0 113.504 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.6 mttt -94.87 164.1 20.42 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 114.607 -1.179 . . . . 25.0 111.507 -177.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.1 Cg_endo -63.84 149.56 90.41 Favored 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.717 2.278 . . . . 25.0 114.085 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -93.82 131.21 39.42 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.753 -1.112 . . . . 25.0 110.724 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.688 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 50.5 mtt180 -119.71 124.62 46.68 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.389 -176.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 15.3 m80 -106.67 112.83 25.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.14 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.5 mtt -99.9 141.13 33.12 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.965 0.412 . . . . 25.0 111.275 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' TRP . 67.5 m-85 -132.83 127.23 34.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.4 -0.818 . . . . 25.0 109.702 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 75.8 m -83.5 145.01 29.16 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.858 0.361 . . . . 25.0 111.244 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -128.66 175.9 8.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.856 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -123.33 -14.2 7.48 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.619 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -143.54 143.63 31.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.789 0.436 . . . . 25.0 110.944 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.9 mmt180 -79.39 -18.35 52.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.592 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.79 -21.54 54.99 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.227 0.329 . . . . 25.0 111.153 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.99 -62.5 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.01 -39.93 13.56 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 102' ' ' MET . 87.6 m-20 -71.46 -24.85 62.08 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.562 0.539 . . . . 25.0 111.753 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.17 -33.87 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.793 0.437 . . . . 25.0 112.028 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.0 mm -68.33 -54.43 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 104' ' ' LEU . 87.9 tttt -53.55 -41.35 66.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.129 0.972 . . . . 25.0 112.289 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 54.4 ttm -54.41 -51.77 63.85 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.49 0.494 . . . . 25.0 111.52 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.403 HG21 ' ND1' ' A' ' 3' ' ' HIS . 98.9 m -60.48 -58.57 7.93 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 75.3 mt -43.77 -59.33 2.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.065 0.946 . . . . 25.0 110.969 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -49.21 -32.88 11.3 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.97 -20.33 33.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.038 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.84 -43.32 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.263 0.625 . . . . 25.0 111.604 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.2 mt -70.34 -36.45 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.108 0.163 . . . . 25.0 110.964 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.9 p -63.44 -17.49 62.74 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.684 0.615 . . . . 25.0 112.132 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -78.62 -43.66 25.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.335 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.42 -1.03 39.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.383 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 6.2 mmtp -91.21 -33.61 15.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.289 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.46 -32.76 20.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.36 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.18 87.4 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.91 0.884 . . . . 25.0 112.473 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 117.981 -1.009 . . . . 25.0 110.939 179.346 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 CA-C-O 120.157 -0.246 . . . . 25.0 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 46.8 t 53.78 111.08 0.02 OUTLIER Pre-proline 0 N--CA 1.486 1.342 0 C-N-CA 124.59 1.156 . . . . 25.0 112.765 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.74 139.52 25.11 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.27 1.98 . . . . 25.0 113.343 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 142.55 147.1 4.73 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.723 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.26 102.13 30.96 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 122.377 0.271 . . . . 25.0 110.906 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.84 -23.09 41.88 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.618 2.212 . . . . 25.0 113.524 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -98.16 137.8 36.39 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.322 0.389 . . . . 25.0 111.572 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -156.54 114.58 0.62 Allowed Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.74 -0.663 . . . . 25.0 112.474 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.0 mt -114.68 21.8 14.13 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.671 0.272 . . . . 25.0 111.365 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.36 -1.23 5.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.312 -0.404 . . . . 25.0 111.546 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 41.5 t -154.49 94.87 1.74 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.688 -0.687 . . . . 25.0 109.71 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 166.7 -32.26 0.21 Allowed Glycine 0 C--N 1.336 0.561 0 CA-C-N 115.827 -0.624 . . . . 25.0 113.164 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -123.77 6.17 8.77 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.711 0.291 . . . . 25.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -117.4 8.91 13.17 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.162 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -113.72 8.87 17.62 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.465 -0.788 . . . . 25.0 111.701 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -78.51 -8.53 58.66 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.9 p -80.6 -3.63 51.1 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -86.89 -36.36 18.45 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.71 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 24.6 pt -91.09 -20.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.466 0.479 . . . . 25.0 110.998 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.07 10.47 14.2 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.34 0.591 . . . . 25.0 111.183 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.57 -32.73 12.69 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.981 -1.008 . . . . 25.0 109.756 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.0 mmm -71.82 -15.71 62.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.762 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -77.72 -36.65 50.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.945 -1.025 . . . . 25.0 112.723 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -84.17 -28.48 27.35 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.6 p -70.08 -27.55 64.7 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.12 -14.53 31.03 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.282 0.364 . . . . 25.0 111.531 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.74 -24.23 23.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.127 -0.488 . . . . 25.0 112.183 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.403 HD12 ' CD ' ' A' ' 49' ' ' GLN . 12.8 mt -96.18 -28.25 14.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.894 0.378 . . . . 25.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 81.0 p -89.11 -42.58 11.61 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.173 -0.921 . . . . 25.0 110.878 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 48.34 95.26 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.429 1.092 . . . . 25.0 112.623 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 93.9 mt -115.93 121.43 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.675 -0.693 . . . . 25.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 31.1 t -119.52 133.97 55.44 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.585 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 117.976 -1.011 . . . . 25.0 111.888 -179.409 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo . . . . . 0 N--CA 1.488 1.174 0 N-CA-C 111.422 -0.261 . . . . 25.0 111.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -138.8 130.19 27.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.708 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.66 -4.57 59.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.523 -0.762 . . . . 25.0 111.397 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.3 p -146.24 157.11 43.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.727 -172.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -164.05 -119.34 0.48 Allowed Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.958 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.72 127.18 15.96 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.583 0.353 . . . . 25.0 110.634 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -142.88 153.63 43.33 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 13' ' ' SER . 84.2 mt -111.85 139.2 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 115.884 -0.598 . . . . 25.0 109.402 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -144.72 122.4 11.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 62.9 38.63 11.18 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.73 0.812 . . . . 25.0 112.122 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 68.72 -5.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.588 1.155 . . . . 25.0 113.444 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.592 HG11 ' HD2' ' A' ' 36' ' ' LYS . 72.2 t -93.63 118.75 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 173.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -79.87 136.88 36.78 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.184 -176.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.71 -157.2 7.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.166 -0.925 . . . . 25.0 113.277 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 5' ' ' GLY . 84.2 mt -126.84 137.15 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.913 -0.643 . . . . 25.0 109.64 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.75 133.93 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.512 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 139.08 41.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.905 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.33 130.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 122.118 0.961 . . . . 25.0 111.302 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.88 105.93 17.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 112.923 -1.944 . . . . 25.0 112.089 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -126.47 168.23 14.52 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.564 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 73.57 0.97 3.81 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.164 0.986 . . . . 25.0 110.743 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.35 -171.44 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 114.717 -1.128 . . . . 25.0 110.136 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -72.8 162.65 73.31 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 172.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.27 128.77 3.22 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 121.933 1.726 . . . . 25.0 113.194 -139.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.42 135.14 18.15 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.093 -1.412 . . . . 25.0 113.029 -166.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.2 mt-10 -121.44 171.66 8.62 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.411 -1.722 . . . . 25.0 110.97 -169.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.3 tp -126.3 111.16 14.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 174.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -108.12 111.15 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.323 -171.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -85.4 140.04 31.07 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.43 169.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.5 mtm180 -133.68 159.61 40.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.951 -1.022 . . . . 25.0 109.27 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 89.6 p -77.9 165.09 24.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.16 -0.448 . . . . 25.0 109.794 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.8 m -54.92 -31.85 60.59 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -97.07 -29.57 13.55 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.212 -0.449 . . . . 25.0 109.912 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.3 17.92 18.5 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.636 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.7 p-10 -69.47 -24.97 63.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.69 0.396 . . . . 25.0 111.497 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.592 ' HD2' HG11 ' A' ' 12' ' ' VAL . 16.7 mttp -116.51 138.79 51.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.944 -0.571 . . . . 25.0 109.802 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.21 125.92 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 CA-C-N 116.453 -0.339 . . . . 25.0 111.081 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -120.31 147.36 45.11 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.719 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.55 130.47 45.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.986 0.422 . . . . 25.0 112.042 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.5 t -114.44 107.54 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.329 -0.851 . . . . 25.0 110.035 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.1 t -81.22 121.56 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.78 -23.12 55.89 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -171.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -67.71 -1.47 5.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.135 0.493 . . . . 25.0 111.005 174.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -115.01 0.1 13.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.144 -0.935 . . . . 25.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.5 mm -108.42 141.46 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.763 0.825 . . . . 25.0 109.841 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -107.83 -51.1 2.95 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.485 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.87 170.24 15.15 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.801 0.44 . . . . 25.0 110.519 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.96 133.99 20.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HG2' ' HD2' ' B' ' 542' ' ' PHE . 7.3 tt0 -131.19 121.41 24.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.484 0.183 . . . . 25.0 111.184 -177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.57 153.33 30.29 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -67.95 121.71 80.9 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.956 -0.566 . . . . 25.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.33 162.62 5.68 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.8 2.334 . . . . 25.0 113.247 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.57 -8.99 58.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.804 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -93.52 -17.11 23.76 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.863 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -74.06 136.84 43.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.713 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -60.09 -25.0 65.08 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.746 -1.116 . . . . 25.0 111.937 175.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' B' ' 541' ' ' ASP . 92.0 mttt -85.47 152.77 22.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.248 -1.342 . . . . 25.0 113.268 -172.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -124.64 97.93 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.909 -1.041 . . . . 25.0 108.97 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.522 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 89.3 mtp -155.84 153.97 30.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.484 -175.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 6.6 tp -133.72 119.78 19.75 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.285 -0.87 . . . . 25.0 109.284 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 86' ' ' ARG . 47.0 ttp180 -100.63 145.83 27.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.169 0.509 . . . . 25.0 111.715 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.4 mm? -125.97 102.5 7.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.939 -1.028 . . . . 25.0 109.847 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG12 ' HG2' ' A' ' 86' ' ' ARG . 34.9 mt -85.3 133.19 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.781 -175.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.0 168.8 29.01 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.732 -0.667 . . . . 25.0 113.998 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -84.98 134.89 34.22 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.004 -0.598 . . . . 25.0 110.857 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.9 t -93.32 133.41 34.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.421 -172.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -105.11 86.41 2.43 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.005 -0.998 . . . . 25.0 109.267 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -86.56 -2.07 58.17 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.815 -0.63 . . . . 25.0 112.217 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.17 -14.65 60.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.857 0.361 . . . . 25.0 111.672 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -96.7 40.49 1.13 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.776 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -44.64 118.34 1.55 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.469 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 35.0 mtp-105 -102.9 152.11 21.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.717 -1.129 . . . . 25.0 110.262 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -126.37 144.12 50.93 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.129 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -84.71 -169.03 2.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.911 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.81 -31.55 64.81 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.98 -23.94 21.39 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 18.42 10.36 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.517 -0.373 . . . . 25.0 113.335 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -89.04 148.47 23.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.478 0.311 . . . . 25.0 110.234 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -72.25 116.03 12.2 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.472 . . . . 25.0 111.624 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 60.9 t -118.65 100.74 10.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.05 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.4 t -91.24 128.28 47.88 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.31 -172.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.88 132.74 46.62 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 123.062 2.508 . . . . 25.0 113.209 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.1 mttt -94.55 165.28 17.68 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.455 -175.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -65.4 148.0 87.72 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.551 2.168 . . . . 25.0 113.71 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -93.58 128.42 39.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.857 -1.065 . . . . 25.0 110.743 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HG12 ' A' ' 63' ' ' ILE . 94.3 mtt180 -116.46 114.84 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.498 -0.774 . . . . 25.0 110.567 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 98.0 m-70 -96.99 112.38 24.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.476 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.5 mtp -105.89 135.94 46.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.371 0.605 . . . . 25.0 111.321 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -115.73 165.63 12.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.497 -1.229 . . . . 25.0 108.977 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 145.45 45.13 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.722 0.296 . . . . 25.0 110.459 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.2 m-85 -129.11 175.7 8.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.793 -0.639 . . . . 25.0 112.126 -172.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -123.27 -15.75 7.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.046 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.77 143.68 32.3 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.788 0.435 . . . . 25.0 110.91 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -18.24 50.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.54 -19.21 58.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.276 0.36 . . . . 25.0 111.132 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.03 -62.88 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.5 ptp -47.04 -39.3 12.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' MET . 96.0 m-20 -70.46 -26.36 63.6 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.443 0.464 . . . . 25.0 111.744 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.08 -31.05 20.68 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 25.0 112.123 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.81 -53.59 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 172.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.0 tttt -51.64 -44.28 62.91 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.073 0.949 . . . . 25.0 111.906 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 48.7 ttm -53.47 -52.42 59.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.234 0.614 . . . . 25.0 111.534 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.26 -59.58 5.24 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.35 0.406 . . . . 25.0 110.085 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 62' ' ' LEU . 80.5 mt -43.86 -57.54 3.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.357 1.063 . . . . 25.0 111.218 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -50.98 -32.98 22.78 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.329 1.052 . . . . 25.0 113.362 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -81.2 -19.98 42.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.125 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.679 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.9 mt -81.91 -42.72 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 123.366 0.666 . . . . 25.0 111.703 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -72.24 -35.96 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 122.099 0.159 . . . . 25.0 111.138 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.576 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 85.6 p -62.71 -17.06 60.08 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.608 0.567 . . . . 25.0 111.875 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.75 -42.31 24.83 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.596 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -81.73 0.16 40.25 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.705 -0.68 . . . . 25.0 111.43 175.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.2 mmtp -94.17 -29.55 15.07 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.278 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -90.49 -32.36 16.4 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.208 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.53 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.978 0.911 . . . . 25.0 112.549 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.978 -1.01 . . . . 25.0 110.351 179.082 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.465 -0.254 . . . . 25.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.1 t -103.59 130.98 22.5 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 122.327 0.251 . . . . 25.0 110.871 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.57 -12.26 26.82 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.573 2.182 . . . . 25.0 114.123 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -108.98 76.75 0.22 Allowed Glycine 0 C--N 1.34 0.777 0 O-C-N 123.374 0.421 . . . . 25.0 112.589 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 57.07 92.25 0.06 OUTLIER Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 123.925 0.89 . . . . 25.0 112.138 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.33 -31.28 35.41 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.703 2.268 . . . . 25.0 113.438 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -103.9 143.46 32.82 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.334 0.397 . . . . 25.0 111.179 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -103.87 168.0 16.7 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.772 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 94.7 mt -105.48 -46.86 4.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.171 0.51 . . . . 25.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.07 -11.58 35.42 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 29.6 t -137.82 80.47 1.8 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.002 -0.999 . . . . 25.0 109.687 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -152.11 -79.77 0.03 OUTLIER Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.551 -0.75 . . . . 25.0 112.874 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -115.45 -3.81 12.37 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.868 0.366 . . . . 25.0 111.425 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -102.66 11.21 38.04 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.512 -0.767 . . . . 25.0 112.213 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -92.83 -37.31 12.37 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.351 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.67 -3.67 27.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.0 p -88.47 -13.98 39.0 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.617 -0.265 . . . . 25.0 111.278 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 96.8 p -74.14 -34.22 63.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.923 0.489 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 50.6 pt -84.38 -14.75 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.334 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -89.22 8.57 29.58 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.413 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -93.12 -30.99 14.97 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.497 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.0 mmm -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.888 -0.597 . . . . 25.0 111.37 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.477 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 99.5 m-20 -79.8 -28.39 40.23 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.265 -0.879 . . . . 25.0 112.36 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.559 ' HD2' ' HG2' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -84.64 -29.03 26.05 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.794 0.665 . . . . 25.0 112.794 -173.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.9 p -76.77 -29.07 55.92 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.83 -7.15 53.12 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 123.216 0.323 . . . . 25.0 111.106 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 13.1 tp -87.51 -27.55 22.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.766 -0.652 . . . . 25.0 112.052 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 25.4 tp -87.03 -31.21 20.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.016 0.436 . . . . 25.0 110.824 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -85.62 -46.03 11.16 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.423 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 53.41 101.77 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.235 1.014 . . . . 25.0 112.312 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.2 mt -95.59 114.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.554 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 39.4 t -122.49 132.98 54.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.522 -0.763 . . . . 25.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.486 1.34 0 C-N-CA 124.315 1.046 . . . . 25.0 112.669 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.489 1.228 0 N-CA-C 111.409 -0.266 . . . . 25.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -122.62 -39.18 2.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.401 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.508 ' HA ' HD12 ' A' ' 18' ' ' ILE . 94.3 m-70 69.65 -31.24 0.21 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.496 1.118 . . . . 25.0 113.059 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -133.45 143.35 48.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.882 0.373 . . . . 25.0 111.31 -178.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -115.36 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.284 -0.871 . . . . 25.0 112.016 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.71 127.53 13.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.629 0.372 . . . . 25.0 110.621 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.54 152.74 41.82 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.79 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -111.54 139.25 36.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.688 -0.687 . . . . 25.0 109.217 176.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -142.18 115.93 9.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.692 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 60.94 46.24 8.7 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.929 0.871 . . . . 25.0 111.728 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 68.22 -5.42 0.9 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.638 173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.441 HG11 ' HD2' ' A' ' 36' ' ' LYS . 42.0 t -95.47 119.7 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HA ' HG12 ' A' ' 8' ' ' ILE . 12.4 t -80.81 136.56 36.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.433 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.51 -159.76 9.08 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.086 -0.961 . . . . 25.0 113.106 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.66 137.76 56.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.1 tt -100.68 137.45 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.543 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.38 141.88 41.74 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.464 0.477 . . . . 25.0 111.271 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.7 mt -101.11 132.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.111 0.482 . . . . 25.0 110.319 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -101.64 107.94 19.34 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.043 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.16 167.69 12.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.15 4.35 4.8 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.659 0.784 . . . . 25.0 111.832 -172.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -101.81 -172.34 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 114.305 -1.316 . . . . 25.0 110.211 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.53 158.51 86.33 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 105.358 -2.09 . . . . 25.0 105.358 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -40.39 130.15 2.44 Favored 'Trans proline' 0 C--N 1.374 1.889 0 CA-C-N 122.064 1.773 . . . . 25.0 113.981 -139.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.56 137.71 8.72 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.96 -1.473 . . . . 25.0 113.36 -168.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG2' HG22 ' A' ' 41' ' ' VAL . 15.8 mt-10 -123.35 172.08 8.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 113.508 -1.678 . . . . 25.0 111.14 -168.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 35.6 tp -128.7 106.12 8.73 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -106.57 112.09 24.93 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.26 -171.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -87.52 131.69 34.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.487 -0.778 . . . . 25.0 109.524 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 37' ' ' VAL . 89.3 mtm180 -126.6 156.72 40.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.484 -0.78 . . . . 25.0 109.645 174.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 90.6 p -66.77 169.29 8.17 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 119.378 -0.344 . . . . 25.0 110.232 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -29.69 59.59 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.8 -31.04 11.72 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.164 -0.471 . . . . 25.0 109.923 170.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.92 18.28 12.72 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.703 -0.681 . . . . 25.0 113.834 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.9 p-10 -70.09 -31.28 68.78 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.531 0.333 . . . . 25.0 110.838 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 62.4 mttp -104.65 137.54 42.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.522 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -145.32 135.27 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 N-CA-C 111.977 0.362 . . . . 25.0 111.977 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -130.24 146.33 51.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.392 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.04 127.97 42.66 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.784 0.326 . . . . 25.0 111.811 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.2 t -112.13 107.4 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.124 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -81.89 121.13 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.765 HD11 HD22 ' A' ' 104' ' ' LEU . 3.4 mm? -75.37 -20.59 58.89 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -171.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.2 -3.5 13.9 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.225 0.536 . . . . 25.0 110.561 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -115.53 2.32 13.8 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.878 -1.056 . . . . 25.0 110.376 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -109.42 142.43 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.645 0.778 . . . . 25.0 109.699 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -110.19 -46.25 3.47 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.022 -0.536 . . . . 25.0 111.699 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.1 mttt -133.21 174.34 10.49 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.958 0.409 . . . . 25.0 111.866 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.53 129.74 12.77 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -125.78 116.51 21.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.479 0.18 . . . . 25.0 110.79 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.19 150.77 29.04 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -69.76 121.58 83.05 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 123.024 0.53 . . . . 25.0 111.279 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.51 162.63 6.01 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.821 2.348 . . . . 25.0 113.294 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.731 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.03 -9.67 58.71 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.925 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p -95.6 -18.06 20.87 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.196 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.57 139.29 49.36 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.305 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.694 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -63.16 -15.74 57.82 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.015 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 541' ' ' ASP . 73.6 mttt -98.15 153.64 18.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.161 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.9 mtt -125.92 98.64 5.6 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.13 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.53 ' HB2' ' HZ ' ' B' ' 542' ' ' PHE . 61.1 mtt -156.03 157.03 35.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.365 -174.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HB3' ' HE1' ' A' ' 91' ' ' PHE . 13.8 tp -136.68 118.39 15.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.339 -0.846 . . . . 25.0 108.986 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HD2' ' CD1' ' B' ' 542' ' ' PHE . 64.9 mtp85 -101.32 145.2 29.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.116 0.484 . . . . 25.0 111.789 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.3 mm? -128.07 106.26 8.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.994 -1.003 . . . . 25.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.604 HG12 ' HG2' ' A' ' 86' ' ' ARG . 82.2 mt -86.77 138.08 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -175.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 165.2 32.82 Favored Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.035 -0.529 . . . . 25.0 113.52 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -85.61 113.98 22.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.598 0.713 . . . . 25.0 112.536 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.551 HG21 ' HA ' ' A' ' 84' ' ' PRO . 2.3 t -122.31 151.7 26.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 114.281 -1.327 . . . . 25.0 110.886 -179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -89.04 102.13 14.78 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.164 -0.926 . . . . 25.0 109.895 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.84 -1.54 57.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.695 -0.684 . . . . 25.0 112.277 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -83.66 -15.82 47.44 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -84.11 35.01 0.52 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.506 0.722 . . . . 25.0 111.248 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -45.76 125.52 6.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.043 0.937 . . . . 25.0 113.272 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -98.49 150.31 21.8 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.518 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.72 143.2 51.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.104 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -85.05 -168.95 2.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.652 -0.703 . . . . 25.0 111.754 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.86 -31.76 65.13 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.95 -19.62 22.24 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.141 0.423 . . . . 25.0 112.141 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.24 18.89 12.35 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.427 -0.416 . . . . 25.0 113.384 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.56 145.92 26.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 81' ' ' VAL . 47.4 tt0 -74.6 113.8 12.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.186 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.51 101.03 11.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.213 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 84.7 t -94.14 127.66 43.95 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.848 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -63.55 131.53 32.01 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.914 2.41 . . . . 25.0 112.347 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.64 151.31 39.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.67 -170.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HA ' HG21 ' A' ' 66' ' ' VAL . 95.9 Cg_endo -75.83 162.64 34.72 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.008 2.472 . . . . 25.0 113.799 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -91.0 132.38 36.02 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.08 -0.964 . . . . 25.0 110.765 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 63' ' ' ILE . 85.8 mtt85 -116.48 130.8 56.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.641 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 7.2 m80 -106.88 112.77 25.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.688 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 66.2 ttp -102.08 140.31 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.087 -0.506 . . . . 25.0 110.933 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 59' ' ' MET . 90.9 m-85 -131.68 130.4 41.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.802 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.79 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 40.0 m -84.18 143.74 29.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.102 0.477 . . . . 25.0 111.301 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 23.7 m-85 -127.4 175.58 8.1 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.241 -0.89 . . . . 25.0 111.547 -173.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -123.82 -17.64 6.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.163 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.39 128.63 16.75 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.678 0.275 . . . . 25.0 110.839 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.731 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.1 ptm180 -61.4 -18.32 58.25 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -74.9 -27.07 60.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.623 0.369 . . . . 25.0 111.452 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -82.22 -63.06 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 14.3 ptp -47.23 -29.49 2.42 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.328 1.051 . . . . 25.0 113.542 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -78.84 -35.2 44.38 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.097 0.248 . . . . 25.0 111.111 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.29 -32.14 58.6 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.568 0.543 . . . . 25.0 112.216 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.91 -54.0 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 104' ' ' LEU . 88.1 tttt -51.52 -43.09 62.18 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.887 0.875 . . . . 25.0 112.051 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.49 -50.74 69.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.177 0.591 . . . . 25.0 111.544 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -62.16 -57.67 10.64 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.277 0.361 . . . . 25.0 110.119 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.765 HD22 HD11 ' A' ' 42' ' ' LEU . 75.9 mt -43.49 -59.39 2.17 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.947 0.899 . . . . 25.0 110.797 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.1 -30.68 11.57 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.23 1.012 . . . . 25.0 113.508 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.11 -20.67 28.34 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.2 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 97.0 mt -82.29 -42.27 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.288 0.635 . . . . 25.0 111.657 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -69.16 -35.9 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 117.802 0.274 . . . . 25.0 110.769 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.5 p -63.93 -16.84 62.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.759 0.662 . . . . 25.0 111.533 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -78.61 -40.64 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.256 -0.429 . . . . 25.0 110.638 172.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -86.64 -3.23 59.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.321 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 55.9 tptt -86.95 -28.55 22.64 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.934 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -94.36 -19.89 20.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.154 -0.93 . . . . 25.0 111.385 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.37 -7.2 59.08 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.016 -0.992 . . . . 25.0 110.407 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.458 -0.257 . . . . 25.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.2 t -103.23 129.97 24.51 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 25.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.12 135.37 22.8 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.225 1.95 . . . . 25.0 113.339 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 140.6 66.37 0.03 OUTLIER Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.872 -0.603 . . . . 25.0 112.69 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 57.0 93.93 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.226 0 C-N-CA 123.931 0.893 . . . . 25.0 112.176 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -66.72 143.6 68.35 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.662 2.241 . . . . 25.0 112.99 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.54 139.31 50.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.89 -0.596 . . . . 25.0 111.288 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -144.95 54.09 0.56 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.746 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 89.4 mt -120.11 -44.74 2.49 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.412 0.625 . . . . 25.0 110.366 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 66.7 mt -103.27 -17.41 15.33 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.364 -1.289 . . . . 25.0 109.968 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 41.5 p -116.65 37.67 3.7 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.123 -0.944 . . . . 25.0 110.839 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.79 -18.65 15.09 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.693 -0.685 . . . . 25.0 113.342 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.18 -3.19 9.03 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.931 0.396 . . . . 25.0 110.422 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -99.36 7.87 45.16 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.573 -0.739 . . . . 25.0 112.171 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -93.24 -20.57 20.3 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.164 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.71 -6.26 43.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.773 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.44 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 85.5 p -87.54 -8.2 56.63 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.547 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 94.8 p -80.43 -34.62 35.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.0 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.2 pt -84.56 -15.05 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.383 173.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -86.96 9.05 20.65 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.241 0.543 . . . . 25.0 111.472 175.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -91.03 -32.76 15.78 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.582 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.2 mmm -71.25 -22.39 61.98 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.218 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 98.3 m-20 -82.88 -33.81 26.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.366 -0.834 . . . . 25.0 112.055 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.611 ' CD1' ' HD2' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -84.99 -28.18 25.95 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -175.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -76.26 -17.6 59.39 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 -176.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.12 -13.63 32.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.792 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.54 -37.88 17.74 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.43 -35.95 68.46 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.11 0.481 . . . . 25.0 110.416 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.9 p -111.27 69.8 0.7 Allowed 'General case' 0 C--O 1.238 0.472 0 CA-C-N 114.878 -1.056 . . . . 25.0 109.132 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -94.42 69.32 3.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.131 -0.94 . . . . 25.0 110.527 -174.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 77.9 mt -106.09 118.08 53.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.327 -0.851 . . . . 25.0 109.844 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 75.0 m -118.9 137.99 53.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.724 -0.671 . . . . 25.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.091 -0.956 . . . . 25.0 110.661 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 N--CA 1.488 1.167 0 N-CA-C 111.797 -0.117 . . . . 25.0 111.797 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -141.51 68.45 1.33 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.65 0.738 . . . . 25.0 109.999 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 66.2 m170 -91.89 -13.35 31.42 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.104 -0.953 . . . . 25.0 111.292 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p -138.77 153.03 48.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.117 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -113.44 0.35 Allowed Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.415 -0.811 . . . . 25.0 111.956 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.1 128.35 12.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.614 0.366 . . . . 25.0 110.468 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.75 153.11 41.34 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -112.19 140.58 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.355 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -143.43 120.85 11.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.717 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 61.68 40.52 13.13 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.785 0.834 . . . . 25.0 112.086 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm 69.24 -3.98 1.41 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.59 1.156 . . . . 25.0 113.645 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.617 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.9 t -96.99 119.51 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -81.63 140.92 34.12 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.518 -175.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -157.2 -156.19 7.8 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.96 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.8 mt -126.55 139.34 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.037 -0.582 . . . . 25.0 109.66 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.66 136.84 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.392 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.596 0.56 . . . . 25.0 111.006 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 81.6 mt -100.14 140.98 17.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.99 0.9 . . . . 25.0 110.6 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.2 t-20 -109.66 100.09 9.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.166 -1.833 . . . . 25.0 110.76 -173.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.41 167.54 12.68 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 72.45 2.26 4.27 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.984 0.913 . . . . 25.0 110.589 -172.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.64 -173.25 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.666 -1.152 . . . . 25.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.63 160.32 81.29 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 170.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.04 130.05 4.39 Favored 'Trans proline' 0 C--N 1.376 2.008 0 CA-C-N 122.305 1.859 . . . . 25.0 113.549 -140.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -47.19 131.98 12.7 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 114.09 -1.414 . . . . 25.0 112.967 -167.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 26.3 pt-20 -128.35 140.58 51.78 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.025 -0.989 . . . . 25.0 113.172 -173.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 45.7 tp -96.82 104.95 17.0 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -176.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.8 m -104.18 109.45 21.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.22 -1.355 . . . . 25.0 111.294 -169.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -84.95 135.77 33.9 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.432 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 mtp180 -128.27 151.08 49.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 25.0 109.807 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.671 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.32 159.17 33.62 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.94 -0.573 . . . . 25.0 109.461 173.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.66 -20.56 5.49 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -101.14 -31.31 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.383 0.427 . . . . 25.0 110.783 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 17.27 31.34 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.57 -0.741 . . . . 25.0 113.077 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -76.07 -28.89 57.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 59.6 mttp -105.3 139.09 40.46 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.458 173.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.08 131.29 5.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-O 120.902 0.382 . . . . 25.0 111.816 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -123.62 145.44 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.42 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 128.52 43.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 95.0 t -114.08 107.54 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.562 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -79.52 117.98 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 104' ' ' LEU . 2.3 mm? -75.86 -17.56 59.76 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -171.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -69.37 -3.99 16.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.152 0.501 . . . . 25.0 110.438 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.6 -1.56 12.71 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.728 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.0 mm -104.13 147.83 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.574 0.75 . . . . 25.0 109.962 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.95 -47.37 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.46 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 60.0 mttp -131.22 168.05 18.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.57 129.22 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.245 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.838 ' HG3' HH21 ' A' ' 61' ' ' ARG . 91.5 mm-40 -127.29 114.85 18.15 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -175.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.05 150.49 31.94 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 p -67.73 120.3 72.53 Favored Pre-proline 0 N--CA 1.477 0.906 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.183 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.67 159.84 6.2 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.868 2.379 . . . . 25.0 113.141 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.59 -4.71 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.032 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -100.24 -17.87 17.13 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.04 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -69.58 140.29 53.77 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.253 0.621 . . . . 25.0 112.66 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -64.38 -14.77 58.34 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.173 -0.922 . . . . 25.0 112.154 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.9 150.03 20.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.673 -1.149 . . . . 25.0 112.902 -171.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.5 mmm -122.01 98.31 5.88 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.101 168.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 64.5 mtp -157.21 156.39 32.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.337 -175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.06 118.39 14.63 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.351 -0.841 . . . . 25.0 108.982 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.838 HH21 ' HG3' ' A' ' 49' ' ' GLN . 58.8 ttp180 -101.53 142.98 32.08 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.031 0.443 . . . . 25.0 111.609 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -124.0 108.63 12.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.158 -0.928 . . . . 25.0 110.094 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 61.7 mt -89.1 133.43 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.804 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.76 164.96 30.5 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.89 -0.595 . . . . 25.0 113.641 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.82 133.53 35.63 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.971 0.508 . . . . 25.0 111.312 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.6 134.26 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.163 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -105.03 88.07 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.224 -0.898 . . . . 25.0 108.788 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -86.75 -2.03 58.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.035 -0.53 . . . . 25.0 112.253 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.5 p -76.9 -10.8 59.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.835 0.35 . . . . 25.0 111.604 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -94.5 37.67 1.12 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.688 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.04 121.15 2.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.096 0.959 . . . . 25.0 112.744 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -100.88 151.74 21.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.635 -1.166 . . . . 25.0 109.897 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.87 142.62 51.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.299 0.374 . . . . 25.0 110.301 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -84.35 -169.42 2.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.931 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.27 -31.5 63.67 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.46 -20.81 23.44 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.003 0.372 . . . . 25.0 112.003 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.05 19.35 12.87 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.61 -0.328 . . . . 25.0 113.055 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -90.77 147.21 23.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 122.608 0.363 . . . . 25.0 110.173 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.0 tt0 -72.11 114.55 10.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.105 0.479 . . . . 25.0 111.636 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.29 101.21 11.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.176 -0.92 . . . . 25.0 109.253 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.1 t -91.63 129.08 43.9 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 115.469 -0.787 . . . . 25.0 111.592 -172.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_exo -59.59 134.3 57.09 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.163 2.575 . . . . 25.0 113.357 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.6 mttt -94.98 161.45 28.29 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.727 -175.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -66.66 150.06 83.77 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.655 2.237 . . . . 25.0 114.088 -178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.43 150.25 20.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.708 -1.133 . . . . 25.0 110.557 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HD3' ' HD2' ' A' ' 61' ' ' ARG . 38.8 mtt85 -131.67 134.2 45.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.359 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m-70 -112.06 113.04 25.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.555 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.89 139.1 37.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.898 0.38 . . . . 25.0 111.376 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -130.65 129.6 42.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.757 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -84.41 144.7 28.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.96 0.41 . . . . 25.0 111.234 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -128.13 176.23 7.81 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.413 -0.812 . . . . 25.0 111.741 -173.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -122.31 -17.65 7.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.963 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -141.49 143.5 33.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.955 0.407 . . . . 25.0 111.13 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 1.026 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 ttt180 -75.21 -28.07 59.83 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.439 -0.801 . . . . 25.0 112.092 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -71.05 -22.03 62.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.391 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.0 t -80.58 -62.68 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptp -46.11 -40.91 11.63 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.781 0.66 . . . . 25.0 112.781 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -69.53 -31.28 69.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.53 0.519 . . . . 25.0 111.779 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.43 -33.18 28.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mm -69.3 -52.63 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 172.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -53.96 -43.11 69.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.787 0.835 . . . . 25.0 111.827 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 ttp -53.34 -51.87 61.04 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.15 0.58 . . . . 25.0 111.497 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.3 m -59.88 -59.87 4.74 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.395 0.434 . . . . 25.0 109.959 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.1 -59.47 2.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.311 1.045 . . . . 25.0 111.066 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -49.26 -33.92 13.99 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.115 0.966 . . . . 25.0 113.421 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -81.6 -19.86 41.0 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.182 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 95.8 mt -85.12 -42.53 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.638 0.775 . . . . 25.0 112.068 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.24 -50.37 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 111.884 0.328 . . . . 25.0 111.884 -173.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.5 p -65.46 -16.11 63.32 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.57 -43.22 94.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 120.994 0.426 . . . . 25.0 110.808 169.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -76.95 -11.17 59.77 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.046 -0.979 . . . . 25.0 112.271 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -84.04 -25.26 30.01 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.17 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -95.72 -19.01 20.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.729 -0.669 . . . . 25.0 111.232 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.51 -5.54 59.3 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.713 -0.66 . . . . 25.0 110.465 -178.653 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.529 -0.228 . . . . 25.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 41.5 t -119.44 108.73 39.34 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 123.621 0.248 . . . . 25.0 110.948 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.35 142.33 85.18 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.649 2.233 . . . . 25.0 113.06 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -159.41 129.77 2.3 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.882 -0.599 . . . . 25.0 112.55 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -97.51 113.04 62.83 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-O 119.605 -0.236 . . . . 25.0 111.092 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.94 140.86 75.02 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.489 2.126 . . . . 25.0 113.306 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -120.35 133.86 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.775 -0.648 . . . . 25.0 110.775 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -142.83 73.47 0.36 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.964 -0.562 . . . . 25.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 86.6 mt -121.96 -46.15 2.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.245 0.545 . . . . 25.0 110.389 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.19 -14.92 20.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.487 -1.233 . . . . 25.0 110.269 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 74.1 m -130.0 62.68 1.55 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.144 -0.934 . . . . 25.0 110.159 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -121.66 -68.1 0.26 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.849 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -128.5 4.36 5.62 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 122.351 0.261 . . . . 25.0 111.491 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.69 9.65 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.124 0.487 . . . . 25.0 112.26 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -101.19 9.24 42.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.346 -0.843 . . . . 25.0 111.858 -175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -73.77 -15.01 61.21 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.6 p -92.51 -3.81 54.56 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.42 -0.354 . . . . 25.0 111.387 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 17.8 p -88.45 -32.93 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.99 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 45.9 pt -88.96 -24.06 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.31 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.56 9.17 22.0 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.404 0.621 . . . . 25.0 110.901 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.25 -29.81 14.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.467 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -73.72 -17.41 61.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.98 170.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -78.91 -29.78 44.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.644 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.03 -22.04 31.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.02 -19.75 43.24 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.18 -14.26 31.39 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.171 0.295 . . . . 25.0 111.73 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 94.0 mt -86.63 -35.74 19.22 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.11 -30.57 63.74 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.78 0.324 . . . . 25.0 111.175 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 54.4 p -93.08 -59.05 2.14 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.374 -0.83 . . . . 25.0 111.583 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 54.33 101.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.828 0.851 . . . . 25.0 112.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.28 -61.32 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.597 -0.729 . . . . 25.0 109.935 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 75.4 m 58.24 114.82 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.059 0.944 . . . . 25.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 117.988 -1.006 . . . . 25.0 110.737 179.726 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 N--CA 1.484 0.917 0 N-CA-C 111.097 -0.386 . . . . 25.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 99' ' ' ASN . 3.0 t -142.94 132.23 23.35 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.956 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.538 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.9 m-70 -85.05 -7.24 59.2 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.436 -0.802 . . . . 25.0 110.908 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.7 p -145.78 145.49 30.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.051 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.66 -117.47 0.66 Allowed Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.12 -0.946 . . . . 25.0 112.07 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.35 125.95 11.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.722 0.409 . . . . 25.0 110.246 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.83 154.6 44.33 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -176.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 83.8 mt -112.51 137.87 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.329 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -143.71 122.69 12.8 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.708 -0.678 . . . . 25.0 109.512 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 62.49 39.01 12.2 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.735 0.814 . . . . 25.0 112.023 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 69.49 -6.18 1.03 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.636 1.174 . . . . 25.0 113.291 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.74 121.81 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 t -81.71 141.28 33.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.545 -175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.37 -157.09 8.28 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.311 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.76 140.02 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -0.61 . . . . 25.0 109.635 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.501 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.51 138.36 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.671 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.21 43.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.359 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 3' ' ' HIS . 87.2 mt -104.37 134.07 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.114 0.483 . . . . 25.0 109.898 176.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -104.94 106.29 16.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.001 -0.999 . . . . 25.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -121.07 167.95 12.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.426 174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 71.07 3.09 4.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.822 0.849 . . . . 25.0 111.754 -171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.6 -172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.332 -1.303 . . . . 25.0 109.808 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -73.19 163.92 64.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.027 -1.842 . . . . 25.0 106.027 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.45 129.5 3.52 Favored 'Trans proline' 0 C--N 1.373 1.865 0 CA-C-N 122.098 1.785 . . . . 25.0 113.426 -142.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.86 141.09 13.92 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.219 -1.355 . . . . 25.0 113.188 -165.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -125.27 172.42 9.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.81 -1.541 . . . . 25.0 111.386 -166.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.642 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -129.08 108.22 10.21 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 173.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -107.21 111.66 24.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.252 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -86.6 137.96 32.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.671 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 73.5 mtp180 -128.09 154.97 45.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.244 -0.889 . . . . 25.0 109.899 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.655 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.0 p -72.49 159.78 33.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.85 -20.79 6.37 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.705 1.002 . . . . 25.0 113.705 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -101.28 -31.59 10.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.351 0.407 . . . . 25.0 110.286 171.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 17.69 28.84 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 115.45 -0.796 . . . . 25.0 113.319 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.44 -30.18 61.79 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 122.79 0.436 . . . . 25.0 110.622 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.655 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.4 mttp -103.76 137.69 41.43 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.292 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.17 135.92 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 120.864 0.364 . . . . 25.0 111.807 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -130.53 145.47 51.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.602 -0.727 . . . . 25.0 109.488 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.36 128.89 43.99 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.001 0.429 . . . . 25.0 111.994 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.7 t -112.17 108.26 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 115.247 -0.888 . . . . 25.0 110.06 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.4 t -81.69 123.1 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -75.24 -21.86 58.3 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -171.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.99 -9.68 47.5 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.877 0.37 . . . . 25.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -115.23 14.09 16.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.592 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.4 mm -111.29 142.23 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.17 175.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -109.49 -52.93 2.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.657 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -131.57 174.5 10.04 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 122.577 0.351 . . . . 25.0 110.864 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.22 132.95 14.93 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.787 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 94.6 mt-30 -129.7 114.58 16.16 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.949 0.352 . . . . 25.0 111.949 -176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -116.04 154.25 30.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.23 122.86 88.54 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.71 166.36 8.37 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.884 2.389 . . . . 25.0 113.216 173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.79 -10.2 59.29 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.205 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.4 -8.63 29.02 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.814 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -77.97 142.03 38.58 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 121.464 0.65 . . . . 25.0 112.733 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -60.52 -23.66 64.74 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.434 -1.257 . . . . 25.0 112.285 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.6 154.51 17.18 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.338 -1.301 . . . . 25.0 113.178 -169.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.9 mtm -126.04 97.58 5.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.035 -0.984 . . . . 25.0 108.789 168.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.491 ' SD ' ' HD1' ' B' ' 542' ' ' PHE . 0.2 OUTLIER -156.24 157.46 35.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.614 -173.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 43.0 tp -138.19 118.54 13.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.891 175.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.725 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 60.0 ttm-85 -99.96 144.75 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.059 0.457 . . . . 25.0 110.683 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -123.82 102.32 7.74 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.186 -0.915 . . . . 25.0 109.705 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 45' ' ' ILE . 97.4 mt -85.14 131.33 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 115.126 -0.943 . . . . 25.0 109.543 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.01 163.7 26.96 Favored Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.617 -0.72 . . . . 25.0 114.12 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -81.4 120.44 24.98 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.16 -0.52 . . . . 25.0 111.14 176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 135.21 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.182 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -95.74 78.77 3.3 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.444 -0.798 . . . . 25.0 109.056 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -66.36 -1.18 3.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.9 p -79.02 0.53 27.36 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.559 0.344 . . . . 25.0 111.657 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.43 29.9 1.21 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.135 0.574 . . . . 25.0 111.173 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -46.73 119.05 2.27 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.065 0.946 . . . . 25.0 112.869 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -103.48 155.26 18.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.093 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.07 144.33 51.05 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.748 0.309 . . . . 25.0 110.203 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.74 -168.91 2.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.815 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.89 -31.53 64.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.01 -20.19 24.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.032 0.382 . . . . 25.0 112.032 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.74 19.52 17.4 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 123.284 0.365 . . . . 25.0 113.022 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -90.26 146.53 24.16 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.725 0.41 . . . . 25.0 110.083 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.5 tt0 -72.4 115.13 11.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.045 0.45 . . . . 25.0 111.656 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.05 101.09 11.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.31 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 79' ' ' GLU . 83.4 t -93.45 129.33 39.1 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.743 -172.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -67.63 143.29 61.69 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.888 2.392 . . . . 25.0 112.669 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.58 160.42 31.56 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.948 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.01 152.82 80.36 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.756 2.304 . . . . 25.0 112.801 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -92.67 126.23 37.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.731 -0.668 . . . . 25.0 111.599 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.725 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 46.0 mtt180 -114.6 139.14 49.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.122 -0.944 . . . . 25.0 110.36 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 92.9 m-70 -123.0 116.99 24.46 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.185 0.303 . . . . 25.0 111.197 -176.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.6 mtp -96.66 149.7 21.51 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.786 0.326 . . . . 25.0 111.086 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 59' ' ' MET . 93.1 m-85 -140.44 126.35 19.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.455 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.765 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.61 144.26 29.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.908 0.385 . . . . 25.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE2' HG12 ' A' ' 96' ' ' VAL . 22.7 m-85 -128.36 176.06 8.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.931 -172.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.0 -15.46 7.33 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.68 -0.691 . . . . 25.0 110.91 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -143.41 143.92 31.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.854 0.462 . . . . 25.0 110.938 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.446 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.48 -21.19 42.25 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 p -76.62 -22.77 53.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.149 0.18 . . . . 25.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 91' ' ' PHE . 62.7 t -74.94 -62.82 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 174.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -47.86 -38.83 17.03 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.118 0.567 . . . . 25.0 112.271 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.73 -20.77 61.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.475 ' HB3' ' H ' ' A' ' 2' ' ' SER . 83.2 m-20 -86.76 -30.91 21.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.533 0.333 . . . . 25.0 111.627 173.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.5 mm -76.08 -55.5 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -51.54 -43.87 62.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.255 1.022 . . . . 25.0 112.578 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 ttp -54.77 -56.1 22.97 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.342 0.401 . . . . 25.0 111.475 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -55.47 -58.18 8.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.33 0.394 . . . . 25.0 110.054 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.62 1.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.71 0.804 . . . . 25.0 110.668 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -52.02 -29.23 20.05 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.968 0.907 . . . . 25.0 113.326 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.32 -20.12 28.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.882 0.473 . . . . 25.0 111.028 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.45 -42.55 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.42 0.688 . . . . 25.0 111.558 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.489 HD11 HD12 ' A' ' 42' ' ' LEU . 59.1 mt -71.39 -35.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.142 0.177 . . . . 25.0 111.12 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.23 -17.4 58.22 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.634 0.584 . . . . 25.0 111.666 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -80.18 -42.53 23.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.551 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -81.68 0.14 40.11 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.613 -0.721 . . . . 25.0 111.34 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -92.44 -32.08 15.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.487 -0.779 . . . . 25.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -87.14 -33.28 19.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.325 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.02 87.66 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.944 0.897 . . . . 25.0 112.519 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.905 -1.043 . . . . 25.0 110.782 179.446 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.526 -0.229 . . . . 25.0 112.526 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 38.8 t -113.04 103.62 55.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 122.327 0.251 . . . . 25.0 110.999 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 154.71 65.53 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.807 2.338 . . . . 25.0 113.316 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.9 42.94 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.961 -0.563 . . . . 25.0 112.79 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 67.2 t80 58.07 80.78 0.27 Allowed Pre-proline 0 N--CA 1.484 1.266 0 C-N-CA 124.051 0.941 . . . . 25.0 112.035 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.64 -38.72 2.28 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.731 2.287 . . . . 25.0 113.081 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 56.1 t30 42.7 86.54 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.685 1.194 . . . . 25.0 113.275 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 92.9 106.07 1.69 Allowed Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.942 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.36 106.06 10.36 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.991 0.424 . . . . 25.0 110.408 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.3 mt -107.65 -8.24 16.19 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 529' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' B' ' 532' ' ' GLU . 99.0 p -162.22 -42.97 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.523 -1.217 . . . . 25.0 109.639 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.64 -24.62 30.78 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.683 -0.69 . . . . 25.0 113.703 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -125.4 -11.35 6.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 25.0 111.151 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 532' ' ' GLU . . . . . 0.431 ' HB2' ' OG ' ' B' ' 529' ' ' SER . 54.8 mt-10 -116.18 8.91 14.5 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.457 -0.792 . . . . 25.0 111.838 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -92.15 -33.77 14.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 25.0 111.53 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -96.84 -2.87 43.14 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 97.8 p -89.79 -7.87 53.43 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.097 0.248 . . . . 25.0 111.385 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p -86.87 -30.19 21.62 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.183 -0.462 . . . . 25.0 111.174 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.0 pt -90.95 -24.15 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.135 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.24 6.0 35.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.368 0.604 . . . . 25.0 110.999 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.454 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 26.3 t70 -94.02 -28.88 15.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.881 -1.054 . . . . 25.0 109.251 171.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.87 -21.68 62.38 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.21 -0.905 . . . . 25.0 110.789 171.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -74.76 -34.45 62.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.127 -0.942 . . . . 25.0 112.415 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.787 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 5.2 t80 -84.65 -26.78 27.57 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.53 0.567 . . . . 25.0 112.53 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -71.81 -29.43 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -89.76 -11.99 40.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.327 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 37.9 mt -87.37 -32.07 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.016 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.53 -22.98 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.821 0.343 . . . . 25.0 111.133 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 80.5 p -95.04 39.65 1.11 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.253 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -92.14 2.28 56.69 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.659 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.6 mt -110.89 123.32 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.3 m -114.69 135.48 54.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.639 -0.71 . . . . 25.0 110.994 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.955 -1.021 . . . . 25.0 111.037 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo . . . . . 0 N--CA 1.485 1.007 0 N-CA-C 111.493 -0.233 . . . . 25.0 111.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.558 ' HB3' ' OG1' ' A' ' 103' ' ' THR . 48.7 m 60.16 165.12 0.07 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.135 . . . . 25.0 113.869 173.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 18' ' ' ILE . 62.1 m80 74.07 -53.06 0.69 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.265 1.426 . . . . 25.0 112.984 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 42.8 t -130.51 142.82 50.48 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -176.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.48 -112.09 0.32 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.721 -1.127 . . . . 25.0 111.69 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.79 128.02 9.82 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.805 0.442 . . . . 25.0 110.339 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -145.91 154.79 42.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 98.3 mt -111.7 140.81 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.556 -0.747 . . . . 25.0 109.299 175.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -143.43 121.59 12.2 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 61.74 40.55 12.91 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.784 0.833 . . . . 25.0 111.971 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 69.84 -5.15 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.547 1.139 . . . . 25.0 113.488 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.6 t -97.1 122.79 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.486 ' HA ' HG12 ' A' ' 8' ' ' ILE . 43.3 t -83.08 141.48 31.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.571 -174.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.11 -155.89 7.75 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.01 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.04 140.88 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.085 -0.558 . . . . 25.0 109.526 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.89 137.01 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.574 -178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.45 146.03 43.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.226 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 3' ' ' HIS . 44.8 mt -106.49 130.9 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.103 0.478 . . . . 25.0 110.658 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -98.49 108.08 20.68 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.9 -1.045 . . . . 25.0 111.122 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -121.83 168.39 11.91 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 71.09 3.85 4.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.706 0.802 . . . . 25.0 111.69 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -101.46 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 114.28 -1.327 . . . . 25.0 110.117 176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.1 p -74.04 160.91 80.61 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 171.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.78 130.17 2.76 Favored 'Trans proline' 0 C--N 1.373 1.841 0 CA-C-N 122.288 1.853 . . . . 25.0 113.884 -139.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.38 140.52 10.14 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.935 -1.484 . . . . 25.0 113.293 -167.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.02 171.08 10.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 113.734 -1.575 . . . . 25.0 111.199 -168.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.656 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 50.7 tp -127.73 109.09 11.31 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 174.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -108.58 111.95 24.05 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.264 -171.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -86.55 136.54 33.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.533 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 54.9 mtp180 -128.22 151.2 49.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 25.0 109.711 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.8 p -69.96 158.9 34.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.394 172.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -53.87 -20.12 5.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -101.15 -31.3 11.11 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.379 0.425 . . . . 25.0 110.386 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 17.23 33.11 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.97 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -76.2 -28.48 57.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.593 0.357 . . . . 25.0 110.098 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.72 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.0 mttp -106.11 137.57 43.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.65 -0.704 . . . . 25.0 109.405 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.02 134.32 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 120.82 0.343 . . . . 25.0 111.725 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -129.17 146.2 51.15 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.663 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -129.22 129.82 45.5 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.982 0.42 . . . . 25.0 112.007 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.1 t -113.77 107.62 23.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.254 -0.884 . . . . 25.0 109.958 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.5 122.14 36.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -76.82 -20.12 56.74 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 -171.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.78 -3.55 16.05 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.198 0.523 . . . . 25.0 110.477 174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -115.28 5.43 14.69 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.203 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -112.76 137.91 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.527 -0.76 . . . . 25.0 109.698 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.88 -43.2 4.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.399 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 64.1 mttp -133.37 169.14 17.37 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.96 133.43 15.53 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -134.89 125.11 26.1 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.635 0.198 . . . . 25.0 110.787 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.5 144.1 45.39 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.6 p -62.63 125.32 85.91 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 123.677 0.791 . . . . 25.0 111.674 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HG2' ' O ' ' B' ' 545' ' ' LEU . 31.2 Cg_exo -60.17 166.23 9.4 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.774 2.316 . . . . 25.0 113.344 176.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -71.8 -13.68 61.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.381 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -97.42 -8.37 29.57 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.502 0.502 . . . . 25.0 111.057 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 29.7 t -77.7 137.47 38.52 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 112.716 0.635 . . . . 25.0 112.716 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.4 mp0 -58.92 -22.13 59.14 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.665 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -92.65 141.01 28.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.422 -1.263 . . . . 25.0 112.044 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -117.36 96.78 5.57 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 167.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 61.5 mtm -154.48 153.95 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.332 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.91 120.16 23.2 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.981 -1.009 . . . . 25.0 109.356 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HD2' ' CG ' ' B' ' 542' ' ' PHE . 67.4 mtp180 -100.79 145.51 28.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.1 0.476 . . . . 25.0 111.902 -176.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -127.88 109.73 11.89 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.975 -1.012 . . . . 25.0 110.171 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -88.76 132.88 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.087 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.89 162.19 33.89 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 116.075 -0.511 . . . . 25.0 113.823 -175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -85.83 116.73 24.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.401 0.619 . . . . 25.0 112.241 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 84' ' ' PRO . 4.3 t -121.06 144.77 28.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 114.563 -1.198 . . . . 25.0 110.621 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -92.67 106.94 18.83 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.974 -1.012 . . . . 25.0 109.188 174.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.34 -1.11 56.64 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -76.47 -6.06 50.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.54 0.336 . . . . 25.0 111.627 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -91.98 33.54 1.05 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.541 0.686 . . . . 25.0 110.8 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -46.02 128.35 9.15 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.84 1.256 . . . . 25.0 113.118 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 mtp-105 -110.27 145.13 37.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.64 138.56 53.92 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -78.99 -171.32 2.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.18 -32.05 63.98 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.728 1.011 . . . . 25.0 113.728 -174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.87 -12.81 37.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.91 20.58 25.76 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 116.235 -0.439 . . . . 25.0 112.912 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.42 148.05 24.4 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.521 0.328 . . . . 25.0 110.309 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG2' HG23 ' A' ' 81' ' ' VAL . 44.6 tt0 -71.64 120.51 17.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.329 -175.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.64 99.6 5.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.348 -0.842 . . . . 25.0 108.783 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.4 t -100.01 126.04 37.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.385 -171.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.1 124.63 12.42 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.986 2.457 . . . . 25.0 112.683 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -96.12 156.03 37.53 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 115.076 -0.966 . . . . 25.0 112.43 -174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.562 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -68.66 152.55 74.4 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.037 2.491 . . . . 25.0 114.084 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -92.1 142.42 27.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.774 -1.103 . . . . 25.0 110.697 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -114.02 127.38 55.92 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.621 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 -96.96 112.08 24.0 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.235 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.9 mtm -102.64 139.75 37.81 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.342 0.592 . . . . 25.0 111.402 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.7 m-85 -119.65 164.35 16.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.48 -1.236 . . . . 25.0 108.481 173.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.781 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 42.5 m -121.37 139.66 53.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.203 0.525 . . . . 25.0 111.182 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.87 176.55 6.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.942 -1.026 . . . . 25.0 111.942 -170.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.84 -18.18 6.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.998 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -140.45 143.79 35.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.671 0.388 . . . . 25.0 111.096 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.535 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 52.0 ptt85 -79.21 -18.41 53.0 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.3 p -75.65 -27.12 58.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.093 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.38 -60.55 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.6 ptp -47.79 -40.72 21.71 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.75 -20.85 61.82 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.306 0.379 . . . . 25.0 111.868 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.74 -28.49 23.02 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.516 0.327 . . . . 25.0 111.591 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -79.58 -54.41 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -50.52 -41.91 54.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.193 0.997 . . . . 25.0 112.412 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.09 -59.08 5.62 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.344 0.403 . . . . 25.0 111.212 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.558 ' OG1' ' HB3' ' A' ' 2' ' ' SER . 41.4 m -51.19 -58.94 4.83 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 110.035 -0.357 . . . . 25.0 110.035 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.2 -59.24 2.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.917 0.887 . . . . 25.0 110.698 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -55.15 -31.3 61.22 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -78.47 -21.12 49.49 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.518 0.327 . . . . 25.0 111.335 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 94.4 mt -85.32 -42.61 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.37 0.668 . . . . 25.0 111.706 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.41 -35.45 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.226 0.21 . . . . 25.0 111.252 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.6 p -62.4 -19.32 63.31 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.672 0.607 . . . . 25.0 111.818 175.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.41 -43.36 32.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.077 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 87.9 m-85 -82.03 -1.97 50.13 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.273 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 24.1 tptp -88.49 -26.24 22.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.252 -0.885 . . . . 25.0 110.103 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -95.36 -17.47 21.57 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.438 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.26 -9.5 59.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.1 t0 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.642 -0.694 . . . . 25.0 110.387 -179.137 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.518 -0.233 . . . . 25.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.0 t -108.56 129.46 23.97 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 119.559 -0.257 . . . . 25.0 111.071 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -73.01 -17.9 24.59 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.471 2.114 . . . . 25.0 114.02 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 151.83 164.96 12.62 Favored Glycine 0 C--N 1.341 0.812 0 O-C-N 123.32 0.388 . . . . 25.0 112.737 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -116.44 130.85 24.18 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-O 119.472 -0.299 . . . . 25.0 111.089 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.47 146.87 45.34 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.327 2.018 . . . . 25.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -98.11 138.47 35.35 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.968 -0.56 . . . . 25.0 111.158 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 128.78 -123.24 4.22 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.464 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 54.5 mt -131.24 138.8 49.49 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.841 0.353 . . . . 25.0 110.145 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.14 95.14 7.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.584 -0.735 . . . . 25.0 109.805 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 51.2 m 66.64 60.28 0.58 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.149 0.979 . . . . 25.0 110.666 -174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -115.26 -94.61 1.97 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 114.916 -1.038 . . . . 25.0 112.771 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -130.74 -8.02 4.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.682 0.277 . . . . 25.0 111.603 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -103.76 2.62 33.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.376 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -114.21 -23.93 9.21 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.512 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -100.32 -13.34 18.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 94.4 p -85.68 -3.99 59.04 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.208 0.318 . . . . 25.0 111.732 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.8 p -86.63 -35.65 19.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.299 -0.41 . . . . 25.0 110.91 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 29.6 pt -87.33 -23.82 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.415 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.1 6.94 26.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.432 0.634 . . . . 25.0 110.92 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -90.52 -29.04 18.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.698 -1.137 . . . . 25.0 109.078 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 95.4 mtp -75.94 -22.09 56.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.185 -0.916 . . . . 25.0 110.881 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -75.11 -32.77 61.48 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.371 -0.831 . . . . 25.0 112.525 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' B' ' 546' ' ' LEU . 0.2 OUTLIER -80.38 -37.43 32.32 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -170.499 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.7 p -76.68 -24.18 53.21 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.402 0.281 . . . . 25.0 111.571 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.78 -25.91 40.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.13 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 52' ' ' PRO . 56.6 mt -86.16 -39.85 16.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.371 0.668 . . . . 25.0 111.34 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 542' ' ' PHE . 4.4 mt -69.86 -29.96 67.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.392 -177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 68.0 m -120.56 76.41 1.19 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.725 -0.671 . . . . 25.0 110.112 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -96.15 69.36 2.73 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.507 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 46.5 pt -105.27 -16.7 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.062 -0.972 . . . . 25.0 112.228 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 71.6 m -110.25 138.27 46.86 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.197 0.31 . . . . 25.0 111.142 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.758 -0.639 . . . . 25.0 111.058 179.595 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 1.523 ' CD ' ' CG ' ' A' ' 1' ' ' PRO . 91.8 Cg_exo . . . . . 0 N--CA 1.487 1.128 0 N-CA-C 111.242 -0.33 . . . . 25.0 111.242 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -141.0 124.62 16.84 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.55 ' HA ' HD12 ' A' ' 18' ' ' ILE . 56.7 m170 -84.38 -6.66 59.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.442 -0.799 . . . . 25.0 110.869 175.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 78.9 p -146.13 147.46 31.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.216 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -155.28 -116.4 0.55 Allowed Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.865 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.18 126.38 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.642 0.377 . . . . 25.0 110.337 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 152.59 42.22 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.78 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 72.3 mt -110.02 140.21 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.972 -0.558 . . . . 25.0 109.853 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.545 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 27.3 t80 -145.65 126.78 14.7 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.745 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 6.5 pt-20 59.02 38.16 24.23 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.812 0.845 . . . . 25.0 111.981 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 68.66 -2.31 1.7 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.542 1.137 . . . . 25.0 113.043 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HD2' ' A' ' 36' ' ' LYS . 58.5 t -92.48 121.31 42.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 172.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -80.8 137.31 36.22 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.165 -0.47 . . . . 25.0 110.599 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.31 -158.61 8.75 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.492 -0.776 . . . . 25.0 113.268 -174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.5 mt -126.83 138.46 54.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.778 -0.711 . . . . 25.0 109.627 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -103.3 137.72 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.437 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.15 146.31 44.84 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.426 0.454 . . . . 25.0 111.273 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 3' ' ' HIS . 87.2 mt -104.01 131.15 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.313 0.578 . . . . 25.0 110.64 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -98.45 106.51 18.8 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.572 -1.195 . . . . 25.0 111.158 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.5 mt-10 -122.97 167.83 13.09 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 173.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 72.67 2.82 4.49 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.816 0.846 . . . . 25.0 110.592 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -102.97 -172.54 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.665 -1.152 . . . . 25.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.2 p -73.69 158.89 85.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.47 130.55 2.51 Favored 'Trans proline' 0 C--N 1.375 1.929 0 CA-C-N 122.11 1.789 . . . . 25.0 113.913 -139.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.21 138.24 12.74 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.24 -166.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 4.7 mt-10 -124.45 171.84 9.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.494 -1.685 . . . . 25.0 110.763 -169.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 62' ' ' LEU . 1.7 tp -123.25 121.94 37.14 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.45 -0.945 . . . . 25.0 108.45 166.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.19 108.21 16.66 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.365 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HD1' HG13 ' A' ' 16' ' ' ILE . 91.0 t90 -84.83 135.03 34.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.612 171.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -128.12 150.04 50.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.437 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.78 164.41 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.136 -0.459 . . . . 25.0 110.028 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.1 m -53.43 -26.8 21.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -97.98 -30.78 12.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.223 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.42 32.11 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 116.106 -0.497 . . . . 25.0 113.924 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -79.09 -27.83 43.01 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 173.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 31.2 mttp -101.39 131.58 47.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.08 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 134.11 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-O 120.858 0.361 . . . . 25.0 111.535 -175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CE1' ' CE2' ' A' ' 9' ' ' PHE . 71.0 m80 -129.0 148.37 50.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.641 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.58 140.09 51.96 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.131 0.491 . . . . 25.0 111.603 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 62' ' ' LEU . 46.7 t -127.3 107.54 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 114.905 -1.043 . . . . 25.0 109.618 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 81.0 t -82.68 120.87 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.74 -20.85 59.66 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -171.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -68.29 -5.18 17.18 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.196 0.522 . . . . 25.0 110.442 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.38 7.33 15.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.891 -1.05 . . . . 25.0 110.179 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 22.7 mm -113.5 142.61 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.874 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -112.24 -45.8 3.25 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.558 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 22.8 mttp -132.64 169.94 15.92 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.772 HD11 ' OE1' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -149.52 131.88 15.61 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 178.029 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.545 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 93.7 mt-30 -131.66 115.29 15.86 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' C ' ' HZ ' ' B' ' 542' ' ' PHE . . . -115.89 153.63 31.19 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -175.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' HG2' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.84 126.9 92.21 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 123.505 0.722 . . . . 25.0 111.836 -177.502 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 31.3 Cg_exo -60.48 165.55 11.08 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.815 2.343 . . . . 25.0 113.132 173.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -7.81 55.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.202 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -96.47 -16.35 21.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.01 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 28.7 t -71.6 141.02 50.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.906 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.08 -19.9 66.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.742 -1.117 . . . . 25.0 111.674 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' CB ' HG21 ' A' ' 51' ' ' THR . 68.6 mttt -93.81 154.67 17.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.653 -1.158 . . . . 25.0 112.937 -172.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 90' ' ' SER . 58.4 mtm -127.2 98.43 5.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.962 -1.017 . . . . 25.0 108.859 169.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.86 ' HG2' HG23 ' A' ' 51' ' ' THR . 25.5 ptm -155.36 156.71 35.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.127 -0.488 . . . . 25.0 112.167 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' MET . 53.2 tp -139.89 118.82 12.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.202 -0.908 . . . . 25.0 109.126 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.772 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 53.3 ttm-85 -100.22 146.37 26.96 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.896 0.379 . . . . 25.0 111.011 -177.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -128.21 104.86 7.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.363 -0.835 . . . . 25.0 109.883 179.031 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 25.4 mt -84.98 135.28 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.078 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.63 163.7 28.67 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.739 -0.664 . . . . 25.0 113.789 -174.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -89.1 110.29 21.04 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.514 0.673 . . . . 25.0 112.06 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 84' ' ' PRO . 2.8 t -122.91 147.69 27.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.431 -1.259 . . . . 25.0 110.7 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -96.03 99.9 11.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.181 -0.918 . . . . 25.0 110.054 174.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -85.05 -2.11 57.61 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.314 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -71.45 -13.04 61.7 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.064 -0.517 . . . . 25.0 111.092 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.12 141.6 28.64 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.581 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -99.74 131.95 45.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.803 -1.09 . . . . 25.0 111.935 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 77.9 ttt-85 -123.19 137.39 54.9 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 169.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -119.71 135.06 54.99 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.978 ' CB ' ' OE2' ' A' ' 76' ' ' GLU . 36.2 m-20 -78.93 -179.49 6.65 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.706 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.05 -32.47 61.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.978 ' OE2' ' CB ' ' A' ' 74' ' ' ASP . 1.3 pm0 -73.92 -21.85 59.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.6 14.86 42.34 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 116.161 -0.472 . . . . 25.0 112.781 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 63.8 t30 -80.91 150.31 29.08 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.637 0.375 . . . . 25.0 110.696 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -76.49 105.66 7.67 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.192 0.52 . . . . 25.0 110.227 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 80' ' ' VAL . 8.3 p -116.08 98.91 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.109 -0.951 . . . . 25.0 109.034 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 94.4 t -88.44 121.38 70.25 Favored Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 115.373 -0.831 . . . . 25.0 110.713 -172.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.99 130.71 31.85 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.079 2.519 . . . . 25.0 114.211 -171.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.03 157.26 35.29 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 114.439 -1.255 . . . . 25.0 112.738 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.7 Cg_endo -66.72 150.23 83.58 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.997 2.464 . . . . 25.0 114.19 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -92.69 134.25 35.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.815 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.772 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 58.0 mtt85 -118.96 133.5 55.79 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.881 -0.6 . . . . 25.0 110.751 -172.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 97.3 m-70 -111.12 114.65 28.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.836 0.454 . . . . 25.0 111.262 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 67.6 mtm -96.34 149.24 21.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.671 0.272 . . . . 25.0 110.791 -177.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 59' ' ' MET . 92.2 m-85 -140.61 125.45 18.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.629 175.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.78 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.54 144.35 29.56 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.951 0.405 . . . . 25.0 111.138 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -127.77 176.45 7.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.811 -173.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.41 -18.89 7.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.858 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -140.65 143.48 35.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.728 0.411 . . . . 25.0 111.075 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -79.08 -18.15 53.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.38 -21.58 55.87 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.221 0.325 . . . . 25.0 111.348 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.03 -62.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.0 ptp -46.39 -39.94 11.23 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.57 -24.63 61.95 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.498 0.499 . . . . 25.0 111.611 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -87.05 -32.29 20.07 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.454 0.471 . . . . 25.0 111.901 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.56 -54.04 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.18 -43.09 61.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.278 1.031 . . . . 25.0 112.145 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.1 ttp -54.63 -52.29 62.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.222 0.609 . . . . 25.0 111.697 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -60.13 -58.26 9.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 42' ' ' LEU . 77.3 mt -43.67 -59.47 2.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.11 0.964 . . . . 25.0 110.884 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.772 ' OE1' HD11 ' A' ' 48' ' ' LEU . 58.6 tp60 -50.15 -32.16 15.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.158 0.983 . . . . 25.0 113.44 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.93 -20.42 32.99 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.252 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.59 -41.12 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.355 0.662 . . . . 25.0 111.561 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.26 -35.52 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 120.521 0.2 . . . . 25.0 110.878 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.457 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.6 p -64.88 -16.96 63.87 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.565 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.76 -39.76 35.21 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.616 173.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -87.55 -0.82 57.39 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.228 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 29.2 tptp -89.62 -30.13 18.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.423 -0.808 . . . . 25.0 110.008 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -93.07 -14.81 26.83 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.581 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.77 60.43 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 58.5 t0 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.877 -0.582 . . . . 25.0 111.335 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.484 -0.246 . . . . 25.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 25.6 t -114.96 124.63 30.06 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 122.324 0.249 . . . . 25.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -73.73 -21.98 18.34 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.431 2.087 . . . . 25.0 113.913 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 118.93 -83.59 0.35 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.536 0.522 . . . . 25.0 112.714 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.05 112.46 64.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 119.56 -0.257 . . . . 25.0 111.043 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.35 147.5 93.54 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.67 2.246 . . . . 25.0 113.136 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -115.92 -35.39 4.46 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 154.13 -146.88 15.48 Favored Glycine 0 C--N 1.34 0.778 0 C-N-CA 121.43 -0.414 . . . . 25.0 112.659 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.65 25.45 10.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.926 0.393 . . . . 25.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 85.6 mt -83.12 9.35 10.63 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.055 -0.52 . . . . 25.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 64.3 p -134.88 -36.26 0.84 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.098 -0.501 . . . . 25.0 111.108 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 136.44 94.05 0.38 Allowed Glycine 0 C--N 1.34 0.782 0 O-C-N 123.385 0.428 . . . . 25.0 112.584 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -121.63 -9.62 8.89 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.934 0.397 . . . . 25.0 110.381 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -101.54 7.15 42.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.439 -0.801 . . . . 25.0 111.899 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.95 1.06 55.19 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.042 -0.981 . . . . 25.0 111.237 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -88.4 -1.46 58.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 93.5 p -85.8 -6.63 59.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.388 -0.369 . . . . 25.0 111.56 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 91.8 p -82.49 -33.3 28.41 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.32 -0.4 . . . . 25.0 110.916 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 46.0 pt -86.96 -20.23 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 115.651 -0.704 . . . . 25.0 110.137 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -88.55 4.45 46.73 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.368 0.604 . . . . 25.0 110.931 172.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.49 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 31.4 t70 -98.5 -29.53 13.04 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.809 -1.087 . . . . 25.0 109.433 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.0 mtp -72.18 -18.72 61.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.285 -0.87 . . . . 25.0 110.2 173.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -85.67 -27.56 25.27 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.854 -1.066 . . . . 25.0 112.73 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 2.4 t80 -84.09 -43.04 15.46 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 -175.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 87.1 p -63.07 -31.24 72.33 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -171.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -85.05 -26.57 26.91 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.902 0.382 . . . . 25.0 111.223 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.57 -12.0 49.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.267 -0.879 . . . . 25.0 111.178 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.6 tp -100.4 -32.56 10.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.139 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 36.8 t -106.92 97.05 6.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.979 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -112.73 76.3 0.97 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.411 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.2 mt -117.47 122.58 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.374 -0.83 . . . . 25.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -123.5 -41.15 2.3 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.219 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.835 -0.602 . . . . 25.0 110.937 179.847 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo . . . . . 0 N--CA 1.486 1.037 0 N-CA-C 111.01 -0.419 . . . . 25.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -138.11 136.43 36.73 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.09 -0.504 . . . . 25.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.558 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 54.3 m170 -88.64 -3.98 58.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.12 176.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p -146.38 150.42 35.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.301 -176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -159.48 -117.93 0.49 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.225 -0.898 . . . . 25.0 112.192 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 127.62 13.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.657 0.383 . . . . 25.0 110.297 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.77 42.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.793 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 68.5 mt -113.83 139.32 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.444 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -143.79 116.88 8.9 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.81 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 63.17 42.59 7.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.908 0.883 . . . . 25.0 112.037 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.67 -8.49 0.91 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.77 1.228 . . . . 25.0 113.762 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 94.4 t -93.07 118.64 39.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 173.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -81.19 138.97 35.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.406 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.06 -158.91 8.98 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.299 -0.864 . . . . 25.0 113.31 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 5' ' ' GLY . 91.7 mt -126.18 137.03 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 114.927 -0.636 . . . . 25.0 109.559 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.96 138.82 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.156 -0.475 . . . . 25.0 110.734 -177.615 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.19 145.89 44.23 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.098 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 85.5 mt -103.18 131.9 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.264 0.554 . . . . 25.0 110.236 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . 2.0 t-20 -100.23 107.15 18.91 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.737 -1.119 . . . . 25.0 111.375 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.4 mt-10 -123.98 167.57 13.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.107 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 72.86 2.72 4.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.855 0.862 . . . . 25.0 110.56 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.99 -172.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 114.591 -1.186 . . . . 25.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -73.6 160.68 81.66 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 172.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -40.95 130.02 2.89 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 122.262 1.844 . . . . 25.0 113.555 -140.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.21 17.61 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.121 -1.399 . . . . 25.0 113.14 -165.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -123.93 172.03 9.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 113.537 -1.665 . . . . 25.0 111.116 -168.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -126.97 109.64 12.14 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -109.63 114.43 28.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.135 -170.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 83.4 t90 -92.43 127.58 37.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.425 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 94.3 mtt-85 -111.36 162.7 14.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.151 -0.931 . . . . 25.0 110.993 170.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.515 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.7 p -76.4 172.57 12.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.373 -0.83 . . . . 25.0 108.995 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.6 m -56.98 -28.74 62.63 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 118.817 0.735 . . . . 25.0 112.433 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.2 -27.07 13.7 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.027 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 30' ' ' ARG . . . 96.14 18.39 31.63 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.608 -0.724 . . . . 25.0 113.505 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -66.72 -27.64 67.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.642 0.377 . . . . 25.0 110.515 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' NZ ' HG21 ' A' ' 12' ' ' VAL . 90.3 mttt -109.86 135.41 50.8 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.196 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 45.6 t -144.64 131.51 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 120.665 0.269 . . . . 25.0 111.455 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.71 148.41 49.05 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.491 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.35 127.65 41.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.907 0.384 . . . . 25.0 111.844 -175.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.9 t -112.24 107.16 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.13 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -81.74 120.9 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -73.76 -22.99 59.67 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -171.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -68.3 -2.26 7.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.072 0.463 . . . . 25.0 111.052 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.24 3.83 14.36 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.198 -0.91 . . . . 25.0 110.127 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -112.22 141.94 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.772 -176.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -109.97 -47.62 3.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.535 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.7 mttt -133.16 175.0 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 120.774 0.321 . . . . 25.0 111.79 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.03 131.01 14.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.711 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 95.5 mt-30 -129.13 113.89 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.668 0.27 . . . . 25.0 111.625 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.42 153.35 28.76 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.835 HG23 ' HG2' ' A' ' 59' ' ' MET . 1.1 p -70.82 122.12 85.87 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.621 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.93 163.21 11.83 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.657 2.238 . . . . 25.0 112.853 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 -9.0 58.12 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.682 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -92.95 -18.3 22.91 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.031 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -74.34 138.75 43.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.201 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.724 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -64.01 -17.96 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.085 -0.961 . . . . 25.0 111.95 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.6 ' CB ' HG21 ' A' ' 51' ' ' THR . 63.6 mttm -94.43 156.14 16.62 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.542 -1.208 . . . . 25.0 113.119 -171.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.1 mtm -127.04 99.05 5.55 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.821 -1.082 . . . . 25.0 109.238 170.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.835 ' HG2' HG23 ' A' ' 51' ' ' THR . 3.4 ptm -155.69 155.02 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.605 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 16.5 tp -136.58 118.56 15.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.031 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.694 ' NH2' ' HA ' ' B' ' 539' ' ' ASP . 43.4 ttm180 -101.68 147.32 26.59 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.222 0.534 . . . . 25.0 111.927 -175.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 104' ' ' LEU . 3.6 mm? -128.4 104.01 7.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.919 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.678 HG12 ' HG2' ' A' ' 86' ' ' ARG . 81.7 mt -85.61 137.77 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.158 -0.473 . . . . 25.0 109.933 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.27 165.65 30.29 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.788 -0.642 . . . . 25.0 113.771 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.43 132.95 34.76 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 123.2 0.6 . . . . 25.0 111.728 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 84' ' ' PRO . 42.9 t -118.76 134.86 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.902 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -98.4 84.25 3.18 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.09 -1.38 0.96 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -76.41 -3.99 39.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.6 0.36 . . . . 25.0 111.471 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -89.71 27.56 1.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.961 0.504 . . . . 25.0 111.098 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.9 125.76 7.87 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -107.04 151.44 25.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.731 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.07 140.01 52.59 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.6 p30 -80.92 -170.74 2.83 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.256 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -55.8 -32.19 63.3 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.13 -18.4 23.59 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -176.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.08 22.88 8.46 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.543 -0.36 . . . . 25.0 113.124 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -89.43 148.12 23.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.6 tt0 -73.97 117.58 15.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.381 -174.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -124.44 99.85 6.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.212 -0.904 . . . . 25.0 109.187 173.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 79' ' ' GLU . 50.4 t -98.47 124.88 45.01 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.696 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.64 135.06 43.59 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.758 2.306 . . . . 25.0 113.278 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 74.7 mmtt -95.07 162.0 26.38 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.756 -175.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -70.32 151.34 65.82 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.251 1.967 . . . . 25.0 113.29 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -92.73 131.23 37.98 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.006 -0.997 . . . . 25.0 110.854 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.678 ' HG2' HG12 ' A' ' 63' ' ' ILE . 90.4 mtt180 -112.62 114.77 27.56 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.745 -0.662 . . . . 25.0 110.249 -177.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.5 m-70 -97.33 112.26 24.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.602 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 74.1 mtm -106.95 136.51 46.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.003 -174.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.0 m-85 -126.4 130.16 50.19 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.309 -0.86 . . . . 25.0 109.976 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.793 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 39.9 m -83.89 142.7 30.39 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.988 0.423 . . . . 25.0 111.297 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HE2' HG12 ' A' ' 96' ' ' VAL . 11.2 m-85 -125.76 176.45 6.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.412 -0.813 . . . . 25.0 111.751 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -122.42 -17.57 7.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.874 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.31 143.45 32.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.592 0.357 . . . . 25.0 111.039 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 5.4 mpt_? -79.0 -18.16 54.13 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.75 -0.659 . . . . 25.0 112.41 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.15 -19.29 54.32 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.337 0.398 . . . . 25.0 111.244 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.414 HG12 ' HE2' ' A' ' 91' ' ' PHE . 74.5 t -82.72 -59.84 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.424 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 25.4 ptp -48.46 -40.71 27.28 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -69.8 -21.22 63.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.426 0.454 . . . . 25.0 111.935 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.94 -29.37 22.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.842 0.457 . . . . 25.0 111.713 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -78.83 -54.49 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.15 -42.11 63.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 25.0 112.891 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 ttp -55.91 -56.85 15.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.834 0.453 . . . . 25.0 111.599 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -54.81 -58.48 7.41 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.451 0.469 . . . . 25.0 110.124 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 42' ' ' LEU . 86.4 mt -43.7 -59.5 2.18 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.872 0.869 . . . . 25.0 110.935 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -52.1 -30.76 27.63 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.71 -19.72 34.74 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.58 -43.57 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.379 0.672 . . . . 25.0 111.675 175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 42' ' ' LEU . 58.6 mt -70.25 -38.97 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.097 0.159 . . . . 25.0 111.242 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -60.48 -17.14 43.04 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.656 0.597 . . . . 25.0 112.071 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -79.51 -43.66 22.7 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.577 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -80.47 -3.33 49.54 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.416 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -89.3 -28.37 19.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.298 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -91.33 -33.71 15.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.228 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.7 89.33 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.935 0.894 . . . . 25.0 112.487 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 117.91 -1.043 . . . . 25.0 111.363 179.325 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.562 -0.215 . . . . 25.0 112.562 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 13.9 t -118.28 132.96 23.53 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 122.417 0.287 . . . . 25.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.43 -17.34 27.07 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.586 2.191 . . . . 25.0 113.915 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 139.14 -140.05 10.61 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.375 0.422 . . . . 25.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 57.13 85.19 0.19 Allowed Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.843 0.857 . . . . 25.0 112.133 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.28 128.67 14.02 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.704 2.269 . . . . 25.0 112.931 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -135.76 124.28 23.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.159 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 121.98 -48.37 0.96 Allowed Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.889 -0.596 . . . . 25.0 113.099 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.17 143.83 51.17 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.974 0.416 . . . . 25.0 111.319 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 50.9 tp -132.91 95.56 3.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.242 -0.89 . . . . 25.0 109.32 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.6 m 60.48 28.72 18.39 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.74 0.816 . . . . 25.0 111.758 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -106.74 -11.77 25.91 Favored Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.57 -0.741 . . . . 25.0 113.302 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -127.99 11.49 6.57 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.903 0.382 . . . . 25.0 110.353 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -93.77 11.47 29.09 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.273 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.1 9.26 41.44 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.226 -0.897 . . . . 25.0 111.409 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -72.22 -7.07 47.26 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.743 0.645 . . . . 25.0 112.743 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.6 p -82.48 -4.01 56.77 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.565 0.346 . . . . 25.0 111.773 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.7 p -87.8 -33.02 18.77 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.211 -0.449 . . . . 25.0 110.699 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.32 -26.29 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.384 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -84.15 4.24 31.36 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.258 0.551 . . . . 25.0 111.281 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.694 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 16.3 t70 -98.05 -26.68 14.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.911 -1.041 . . . . 25.0 109.412 174.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -75.5 -19.54 59.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.327 -0.851 . . . . 25.0 110.595 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -73.3 -31.56 64.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.776 -1.102 . . . . 25.0 113.123 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.711 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 12.2 t80 -76.79 -17.27 59.13 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 -173.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -76.97 -16.58 59.3 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.08 -19.47 23.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.981 0.364 . . . . 25.0 111.981 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 98.4 mt -87.22 -40.35 14.63 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 37.8 tp -85.88 -16.97 36.87 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.911 0.386 . . . . 25.0 110.918 -175.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 49.7 m -100.44 -53.36 3.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.358 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 50.1 98.04 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.15 0.98 . . . . 25.0 112.836 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -114.92 122.45 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.818 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 31.2 t -117.48 134.02 55.32 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.734 -0.667 . . . . 25.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.655 -0.688 . . . . 25.0 110.679 -179.851 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 N--CA 1.485 1.006 0 N-CA-C 111.269 -0.32 . . . . 25.0 111.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' SER . 77.7 p -126.23 -39.5 2.06 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.332 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.59 ' HA ' HD12 ' A' ' 18' ' ' ILE . 4.7 m-70 69.54 -26.54 0.15 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.341 1.056 . . . . 25.0 112.953 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 39.0 t -135.24 140.4 45.21 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.793 0.33 . . . . 25.0 111.281 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.39 -117.0 0.85 Allowed Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.025 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.55 127.49 14.51 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.635 0.374 . . . . 25.0 110.298 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.25 155.46 43.87 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 81.6 mt -112.72 139.36 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.597 -0.729 . . . . 25.0 109.231 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -142.29 120.84 12.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.053 -0.521 . . . . 25.0 109.64 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' B' ' 531' ' ' ASP . 67.7 mt-10 61.72 40.8 12.68 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.743 0.817 . . . . 25.0 111.952 -178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 71.57 -7.0 1.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.656 1.183 . . . . 25.0 113.57 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.6 t -94.55 125.17 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.7 t -84.32 137.37 33.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.482 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.8 -158.06 8.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.072 -0.967 . . . . 25.0 112.971 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' GLY . 14.9 mt -125.4 137.58 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.233 -0.484 . . . . 25.0 109.753 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.563 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 137.85 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.725 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.64 141.01 41.19 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.497 0.498 . . . . 25.0 111.26 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 3' ' ' HIS . 92.8 mt -97.05 130.26 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.168 0.509 . . . . 25.0 110.17 176.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.6 106.44 18.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.455 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -122.36 168.1 12.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.637 -0.711 . . . . 25.0 109.157 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 72.72 2.26 4.29 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.833 0.853 . . . . 25.0 111.658 -171.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -101.67 -171.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.202 -1.363 . . . . 25.0 109.76 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -73.24 166.51 43.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 106.128 -1.805 . . . . 25.0 106.128 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.44 129.17 3.49 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.411 1.897 . . . . 25.0 113.284 -143.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.43 17.26 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 114.367 -1.288 . . . . 25.0 113.17 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.74 172.29 8.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.599 -1.637 . . . . 25.0 111.162 -168.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 39.4 tp -127.47 109.9 12.22 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 173.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -109.01 112.03 24.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.337 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 89' ' ' PHE . 78.1 t90 -87.76 133.78 33.8 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.331 -0.849 . . . . 25.0 109.49 170.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -127.19 159.3 34.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.493 173.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.6 p -68.14 169.01 11.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 -28.62 58.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -99.89 -30.4 12.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.448 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.07 16.81 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.701 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.62 -27.78 65.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.587 0.355 . . . . 25.0 111.499 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 0.2 OUTLIER -109.5 142.33 40.68 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 174.159 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.29 136.95 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -133.2 145.76 50.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.36 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -128.96 131.06 47.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.062 0.458 . . . . 25.0 112.02 -174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 3.4 t -114.42 107.64 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.987 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.57 121.13 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.53 -20.84 59.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.488 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -69.01 -4.62 17.61 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.241 0.543 . . . . 25.0 110.416 175.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.24 6.28 14.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.834 -1.076 . . . . 25.0 110.139 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -113.56 142.63 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.665 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.95 -45.65 3.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.49 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 57.1 mttp -132.32 168.59 17.83 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 47' ' ' LYS . 4.9 mt -147.96 136.12 21.3 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -135.76 119.24 16.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.388 0.137 . . . . 25.0 111.045 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 144.39 41.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 57' ' ' LYS . 73.4 p -62.68 120.97 64.8 Favored Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 123.192 0.597 . . . . 25.0 111.514 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -54.55 163.21 3.92 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.969 2.446 . . . . 25.0 113.452 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.26 -11.27 60.83 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.8 -0.636 . . . . 25.0 112.041 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -95.66 -17.48 21.28 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.331 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -70.75 138.01 50.12 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.41 -30.79 41.98 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.378 -1.283 . . . . 25.0 112.394 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 51' ' ' THR . 57.0 mttp -90.74 145.83 24.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 113.766 -1.561 . . . . 25.0 112.928 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' HG3' ' A' ' 59' ' ' MET . 91.5 mmm -117.59 97.54 5.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.375 -0.83 . . . . 25.0 109.172 167.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 38.8 mtt -154.8 150.85 27.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.88 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 tp -127.97 119.37 25.36 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.944 -1.025 . . . . 25.0 109.203 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -101.38 147.24 26.56 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.207 0.527 . . . . 25.0 112.21 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -128.24 106.19 8.87 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.768 -1.105 . . . . 25.0 110.026 178.583 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.652 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 91.3 mt -85.0 129.88 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 116.075 -0.511 . . . . 25.0 109.727 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.27 168.62 38.81 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.837 -0.619 . . . . 25.0 113.891 -174.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -90.5 112.29 23.89 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.541 0.686 . . . . 25.0 112.367 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.68 148.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.441 -1.254 . . . . 25.0 110.414 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -91.68 93.93 9.14 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.444 -0.798 . . . . 25.0 110.501 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 82' ' ' PRO . 99.3 mt-10 -86.31 -4.04 59.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.783 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -68.96 -18.53 64.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.884 0.373 . . . . 25.0 110.678 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 81' ' ' VAL . 99.1 mttt -97.51 129.68 44.65 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.963 172.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 81' ' ' VAL . 67.3 mttt -100.71 145.65 28.2 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.567 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 39.1 mtp-105 -110.71 154.42 23.91 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.66 143.07 51.18 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -87.47 -169.59 2.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.751 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.09 -31.59 63.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -92.08 -18.12 24.03 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.22 8.06 Favored Glycine 0 C--N 1.34 0.796 0 C-N-CA 121.492 -0.385 . . . . 25.0 113.189 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -91.03 142.35 27.86 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -72.91 100.81 3.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 111.182 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 59.4 t -106.78 99.88 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.416 173.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 70' ' ' LYS . 13.7 t -92.44 126.32 52.85 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.387 -172.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 37.7 Cg_endo -58.48 128.64 29.13 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 123.448 2.765 . . . . 25.0 114.209 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -96.97 156.81 35.97 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 114.873 -1.058 . . . . 25.0 111.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.55 152.51 70.4 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 123.01 2.473 . . . . 25.0 113.866 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -92.43 138.73 31.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.759 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 63' ' ' ILE . 92.7 mtt180 -114.66 121.71 44.24 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.817 -173.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 -97.18 112.98 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.766 -0.652 . . . . 25.0 110.746 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 63.1 ttp -104.13 137.98 41.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.526 0.679 . . . . 25.0 111.658 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 75.8 m-85 -116.7 164.0 15.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 114.32 -1.309 . . . . 25.0 108.326 172.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.802 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 67.4 m -121.32 135.88 55.04 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.315 0.579 . . . . 25.0 111.114 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD2' ' HG3' ' A' ' 97' ' ' MET . 11.1 m-85 -121.86 176.5 5.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.886 -1.052 . . . . 25.0 111.84 -172.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.59 -19.88 7.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.898 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.586 0.355 . . . . 25.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -74.38 -19.66 60.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.432 178.066 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.6 p -73.9 -20.35 60.42 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.246 0.341 . . . . 25.0 111.224 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HE2' ' A' ' 91' ' ' PHE . 87.3 t -82.97 -57.93 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.535 ' HG3' ' CD2' ' A' ' 91' ' ' PHE . 78.8 mtm -49.56 -43.05 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -70.29 -21.35 62.96 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.82 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.1 -37.93 15.82 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.958 0.503 . . . . 25.0 112.14 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.74 -52.89 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -53.89 -42.3 68.51 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.849 0.859 . . . . 25.0 111.964 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.9 ttp -51.65 -52.2 49.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.163 0.585 . . . . 25.0 111.75 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -61.6 -57.91 10.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.72 -58.8 2.51 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.007 0.923 . . . . 25.0 110.866 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -48.79 -33.24 10.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.309 1.043 . . . . 25.0 113.326 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -83.33 -20.3 34.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.24 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.0 -41.93 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.177 0.591 . . . . 25.0 111.897 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 48' ' ' LEU . 59.2 mt -69.18 -35.73 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 117.967 0.349 . . . . 25.0 110.791 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -63.63 -18.03 63.51 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.601 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -76.87 -41.37 44.17 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.674 172.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 65.9 m-85 -86.53 1.29 52.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.391 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -92.4 -31.84 15.16 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.997 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -89.72 -33.8 16.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.329 -0.85 . . . . 25.0 111.203 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.84 87.4 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.036 0.934 . . . . 25.0 112.539 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.966 -1.016 . . . . 25.0 111.302 179.328 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.482 -0.247 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 34.5 t 59.45 101.15 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.31 0 C-N-CA 123.989 0.916 . . . . 25.0 111.912 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.57 144.34 97.62 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.862 2.375 . . . . 25.0 113.467 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -153.46 -86.28 0.05 OUTLIER Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.767 -0.651 . . . . 25.0 112.429 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -118.68 96.24 49.8 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.262 -0.273 . . . . 25.0 110.262 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.604 ' CB ' HD21 ' B' ' 528' ' ' LEU . 37.2 Cg_exo -69.22 136.58 34.83 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.619 2.213 . . . . 25.0 112.941 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -135.95 130.07 33.13 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.357 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.1 -102.65 0.89 Allowed Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.984 -0.553 . . . . 25.0 112.871 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.45 123.35 50.09 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.846 0.355 . . . . 25.0 110.287 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.604 HD21 ' CB ' ' B' ' 524' ' ' PRO . 64.8 mt -122.49 -2.49 8.94 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.518 -0.765 . . . . 25.0 110.475 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 -49.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.986 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 107.24 74.38 0.88 Allowed Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.118 -0.492 . . . . 25.0 112.754 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 531' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 10' ' ' GLU . 26.5 t70 -114.13 -2.64 13.39 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.927 0.394 . . . . 25.0 111.237 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -106.27 10.22 31.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.415 -0.811 . . . . 25.0 112.301 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -95.0 -38.47 10.65 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.403 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.24 -10.25 20.52 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 61.0 p -85.81 -3.24 58.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.221 0.326 . . . . 25.0 111.718 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.8 p -86.21 -34.47 20.47 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.807 175.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -90.86 -27.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.516 175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -84.94 9.51 14.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.392 0.615 . . . . 25.0 111.163 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -32.23 12.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.871 -1.058 . . . . 25.0 109.514 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.2 mmm -73.66 -17.7 61.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.971 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 74.2 m-20 -73.76 -32.7 63.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.083 -0.962 . . . . 25.0 112.357 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.73 -23.24 39.58 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -173.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.01 -18.07 44.6 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.36 -17.15 26.32 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.763 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 76.0 mt -86.85 -38.43 16.8 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.743 0.645 . . . . 25.0 112.743 -177.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 97.3 mt -78.43 -28.43 46.73 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.9 0.381 . . . . 25.0 111.002 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 78.2 p -90.76 -57.89 2.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.203 -0.908 . . . . 25.0 111.085 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 52.32 100.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.0 0.92 . . . . 25.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.28 111.79 29.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.768 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.7 m -119.81 139.5 52.24 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.751 -0.642 . . . . 25.0 110.74 -179.755 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 N--CA 1.489 1.229 0 N-CA-C 111.747 -0.136 . . . . 25.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -113.66 -46.42 3.04 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.307 0.379 . . . . 25.0 111.306 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.511 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.8 m-70 67.43 -18.2 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.358 1.063 . . . . 25.0 113.72 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.5 p -141.12 149.1 41.12 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.815 0.341 . . . . 25.0 111.436 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.24 -118.64 0.63 Allowed Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.084 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.69 126.88 12.95 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.741 0.416 . . . . 25.0 110.168 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.16 151.51 40.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -110.52 138.9 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.405 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -142.29 116.77 9.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.697 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 62.94 42.19 7.8 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.888 0.875 . . . . 25.0 111.967 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HG2' ' OD2' ' B' ' 531' ' ' ASP . 76.1 mmtt 69.28 -7.46 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.638 1.175 . . . . 25.0 113.88 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HD2' ' A' ' 36' ' ' LYS . 94.4 t -93.84 116.39 34.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 173.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.433 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -78.45 141.03 38.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.916 -0.583 . . . . 25.0 111.404 -175.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.3 -157.9 8.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.102 -0.954 . . . . 25.0 112.994 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.66 138.64 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.132 -0.534 . . . . 25.0 109.666 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.83 139.13 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.445 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -136.73 145.88 45.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.999 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 3' ' ' HIS . 97.2 mt -103.51 139.15 25.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.307 0.575 . . . . 25.0 110.058 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.5 t30 -106.57 99.38 8.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.399 -175.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 107' ' ' ILE . 71.2 mt-10 -121.83 167.25 13.23 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 176.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.86 1.61 4.08 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.0 0.92 . . . . 25.0 110.438 -170.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.48 -173.18 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 114.592 -1.185 . . . . 25.0 110.066 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.47 163.05 70.98 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 106.074 -1.824 . . . . 25.0 106.074 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -42.38 130.01 4.87 Favored 'Trans proline' 0 C--N 1.374 1.886 0 CA-C-N 122.188 1.817 . . . . 25.0 113.133 -143.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -49.09 138.07 12.53 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.346 -1.297 . . . . 25.0 112.863 -164.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -132.35 137.15 47.29 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.872 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 17' ' ' ALA . 27.5 tp -95.2 110.53 22.49 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.6 m -104.05 107.84 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 113.977 -1.465 . . . . 25.0 110.724 -171.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -84.43 134.76 34.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.779 -0.646 . . . . 25.0 109.309 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.99 148.72 50.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.505 -0.771 . . . . 25.0 109.639 173.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.645 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.49 158.65 33.34 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 173.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -53.16 -20.08 3.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.531 0.938 . . . . 25.0 113.531 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -101.19 -31.55 10.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.448 0.468 . . . . 25.0 110.821 171.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.98 17.18 33.22 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.605 -0.725 . . . . 25.0 113.032 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -75.78 -28.21 58.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.648 0.379 . . . . 25.0 110.051 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.7 mttp -106.49 137.21 44.89 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.342 173.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.03 132.93 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-O 120.776 0.322 . . . . 25.0 111.725 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.92 149.38 48.76 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.647 -0.706 . . . . 25.0 109.554 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.29 142.24 50.89 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.865 0.364 . . . . 25.0 111.672 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 74.1 t -131.92 107.49 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.341 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.78 118.72 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 107' ' ' ILE . 71.3 mt -77.88 -18.07 56.61 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.8 -3.63 16.48 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.267 0.556 . . . . 25.0 110.542 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -115.27 1.95 13.91 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.921 -1.036 . . . . 25.0 110.292 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 63' ' ' ILE . 39.9 mm -105.8 142.99 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.095 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -110.79 -46.94 3.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.79 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 15.8 mttp -131.2 166.83 20.29 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -176.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.02 130.17 15.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.747 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 98.2 mt-30 -131.43 114.79 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.01 34.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.2 p -68.71 122.31 84.35 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.52 0.728 . . . . 25.0 111.735 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.02 162.7 8.75 Favored 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.783 2.322 . . . . 25.0 113.075 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.42 -8.53 55.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.786 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -95.82 -18.18 20.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.117 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -72.94 137.9 45.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.124 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -62.42 -18.57 62.0 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.129 -0.941 . . . . 25.0 111.946 176.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -94.48 155.73 16.8 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.581 -1.19 . . . . 25.0 112.998 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' SER . 73.3 mtm -128.18 98.39 5.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.641 -1.163 . . . . 25.0 108.914 170.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 75.4 mtm -154.19 153.83 32.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.446 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -136.39 118.4 15.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.871 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -106.13 146.58 30.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.113 0.482 . . . . 25.0 111.809 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 23.6 mt -128.01 104.81 8.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.289 -175.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.67 HG12 ' HG2' ' A' ' 86' ' ' ARG . 71.3 mt -85.33 136.25 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.922 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.08 139.36 14.44 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.135 -0.484 . . . . 25.0 113.551 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.12 135.48 49.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.781 0.833 . . . . 25.0 112.014 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.43 132.18 42.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.098 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -106.86 89.75 3.1 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.353 -0.84 . . . . 25.0 109.187 170.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -86.95 -2.07 58.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.971 -0.559 . . . . 25.0 112.366 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -75.28 -11.87 60.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.856 0.36 . . . . 25.0 111.602 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.05 37.98 1.27 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.856 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.2 117.85 1.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.097 0.959 . . . . 25.0 112.459 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -102.12 153.21 20.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.122 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.3 148.05 50.24 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.329 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -84.79 -174.79 5.47 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.19 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -55.74 -31.81 62.85 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.884 1.068 . . . . 25.0 113.884 -174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -91.8 -20.18 21.77 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.833 0.308 . . . . 25.0 111.833 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.95 25.33 5.94 Favored Glycine 0 C--N 1.339 0.737 0 O-C-N 123.32 0.387 . . . . 25.0 113.09 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -89.91 145.24 25.27 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.542 0.337 . . . . 25.0 110.178 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.717 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -74.0 118.22 16.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.096 0.474 . . . . 25.0 111.302 -175.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.57 100.87 7.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.071 -0.968 . . . . 25.0 109.233 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 59.6 t -94.66 126.99 45.37 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.209 -173.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.28 133.38 46.14 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.029 2.486 . . . . 25.0 113.713 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 97.9 mttt -95.44 163.1 22.39 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.553 -1.203 . . . . 25.0 111.903 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.2 Cg_endo -61.9 154.49 61.06 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.49 2.127 . . . . 25.0 114.071 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -91.99 163.29 14.05 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 114.822 -1.081 . . . . 25.0 109.579 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.67 ' HG2' HG12 ' A' ' 63' ' ' ILE . 93.3 mtm-85 -152.99 141.8 21.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.77 0.319 . . . . 25.0 110.354 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.9 m80 -131.08 112.97 13.36 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.8 -175.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -100.38 143.19 30.85 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.956 0.408 . . . . 25.0 111.12 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.0 m-85 -136.3 127.8 28.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.311 -0.858 . . . . 25.0 109.615 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.829 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.1 m -83.89 145.66 28.48 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.844 0.354 . . . . 25.0 111.136 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.24 175.39 8.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.844 -173.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -121.53 -15.71 7.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.741 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -144.07 143.36 31.12 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.624 0.37 . . . . 25.0 111.253 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -77.94 -18.97 55.45 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.475 -0.784 . . . . 25.0 112.712 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.21 -21.22 50.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 123.182 0.301 . . . . 25.0 111.213 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.07 -62.7 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.9 ptp -47.39 -41.12 19.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.93 -23.93 63.29 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 123.35 0.406 . . . . 25.0 111.749 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.05 -31.08 20.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.028 0.531 . . . . 25.0 111.88 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mm -74.4 -55.55 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -51.72 -41.67 61.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.14 0.976 . . . . 25.0 112.515 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.2 ttp -60.65 -57.65 11.79 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.15 0.281 . . . . 25.0 111.061 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.418 HG21 ' ND1' ' A' ' 3' ' ' HIS . 41.3 m -50.13 -58.39 5.66 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.397 0.436 . . . . 25.0 109.855 176.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mp -43.98 -59.07 2.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.1 0.96 . . . . 25.0 111.062 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -56.45 -29.59 61.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.751 -0.658 . . . . 25.0 112.686 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.88 -20.61 52.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.665 0.386 . . . . 25.0 111.229 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 42' ' ' LEU . 85.6 mt -85.25 -42.72 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.558 0.743 . . . . 25.0 111.571 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.59 -33.33 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.658 0.383 . . . . 25.0 111.341 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -65.65 -17.97 64.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.749 0.655 . . . . 25.0 111.442 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -79.44 -42.96 24.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.785 0.434 . . . . 25.0 110.721 173.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.1 -5.14 57.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.162 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -85.23 -31.43 23.16 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.998 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -96.65 -22.91 16.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.285 -0.871 . . . . 25.0 111.162 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.59 73.66 1.51 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.665 0.745 . . . . 25.0 110.951 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 63.3 t0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.907 -1.044 . . . . 25.0 110.433 177.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.534 -0.226 . . . . 25.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.4 t -109.47 125.69 30.82 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.32 0.248 . . . . 25.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.56 -21.52 16.84 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.452 2.101 . . . . 25.0 113.872 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 128.26 -29.01 4.18 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 123.47 0.481 . . . . 25.0 112.966 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 59.14 88.64 0.12 Allowed Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 123.971 0.908 . . . . 25.0 111.952 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -69.69 -40.05 5.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.592 2.195 . . . . 25.0 113.109 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -130.6 133.72 46.4 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.26 121.82 3.65 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.318 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt 60.69 113.64 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.15 0.98 . . . . 25.0 111.205 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 85.3 mt -126.34 -2.27 6.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.655 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 46.5 t -154.68 -63.73 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.38 -0.827 . . . . 25.0 110.358 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.16 89.05 0.81 Allowed Glycine 0 C--N 1.345 1.06 0 C-N-CA 121.416 -0.421 . . . . 25.0 112.452 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 531' ' ' ASP . . . . . 0.583 ' OD2' ' HG2' ' A' ' 11' ' ' LYS . 23.6 t0 -125.13 -7.35 7.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.732 0.301 . . . . 25.0 110.988 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -106.08 -8.03 17.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.925 -0.58 . . . . 25.0 111.837 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -116.88 -26.24 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.948 -1.024 . . . . 25.0 111.094 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.474 ' HD2' HD11 ' B' ' 537' ' ' ILE . 88.6 m-85 -94.13 -2.5 52.59 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -176.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 96.0 p -82.36 -3.87 56.26 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.68 0.276 . . . . 25.0 111.52 175.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 93.5 p -84.58 -33.77 23.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.43 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 537' ' ' ILE . . . . . 0.474 HD11 ' HD2' ' B' ' 534' ' ' PHE . 27.2 pt -91.26 -20.82 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.612 -0.722 . . . . 25.0 110.707 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -82.32 6.18 17.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.359 0.599 . . . . 25.0 111.607 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -89.09 -26.79 21.18 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.827 170.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.5 mmm -76.44 -21.66 55.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.713 170.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.04 -35.41 69.33 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.287 -0.87 . . . . 25.0 112.427 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.747 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 10.2 t80 -84.43 -19.35 33.58 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -174.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -76.15 -16.77 59.81 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.46 -22.29 20.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.22 -31.85 21.5 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 35.2 tp -90.18 -15.35 31.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.868 0.366 . . . . 25.0 110.967 -176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 87.8 p -106.76 42.7 1.25 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.398 -0.819 . . . . 25.0 110.601 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.93 4.23 34.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.445 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 72.0 mt -101.77 114.73 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.823 0.344 . . . . 25.0 111.334 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 74.9 m -124.27 140.88 52.53 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.035 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.773 -0.632 . . . . 25.0 110.943 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.482 0.832 0 N-CA-C 111.388 -0.274 . . . . 25.0 111.388 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -137.09 123.12 20.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.783 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.8 m-70 -87.13 -2.44 58.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.397 -0.819 . . . . 25.0 111.019 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 53.9 p -147.3 151.02 35.91 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.728 -176.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.17 -113.29 0.34 Allowed Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.16 -0.927 . . . . 25.0 111.843 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.94 129.63 12.31 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 122.645 0.378 . . . . 25.0 110.43 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.06 153.63 40.94 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.0 mt -112.36 139.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.324 175.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -143.24 119.84 11.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.869 -0.605 . . . . 25.0 109.542 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 61.5 41.67 12.3 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.761 0.824 . . . . 25.0 112.04 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.17 -7.42 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.588 1.155 . . . . 25.0 113.698 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.7 t -95.4 120.14 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -81.83 139.78 34.55 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.66 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.56 -156.42 7.85 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.232 -0.895 . . . . 25.0 113.109 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.87 139.76 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.071 -0.564 . . . . 25.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.95 136.77 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.557 -178.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 146.34 45.43 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.2 -0.455 . . . . 25.0 111.093 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.504 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 91.3 mt -105.02 131.85 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.307 0.575 . . . . 25.0 110.552 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.5 105.07 17.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.505 -1.225 . . . . 25.0 111.196 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 52.0 mt-10 -123.1 167.73 13.29 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 173.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 61.1 m-20 73.94 1.95 4.05 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 123.882 0.873 . . . . 25.0 110.494 -172.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -103.21 -172.25 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 114.555 -1.202 . . . . 25.0 110.075 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.6 164.75 58.79 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.47 129.22 3.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 CA-C-N 122.29 1.854 . . . . 25.0 113.182 -142.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.7 21.56 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.401 -1.272 . . . . 25.0 113.092 -164.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.7 mt-10 -125.55 171.46 10.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 113.703 -1.59 . . . . 25.0 110.771 -168.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 62' ' ' LEU . 22.2 tp -123.03 122.43 38.48 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 167.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.55 108.42 16.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.671 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -84.75 134.33 34.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.615 -0.721 . . . . 25.0 109.433 170.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' NH2' ' HA3' ' A' ' 34' ' ' GLY . 56.8 mtp180 -125.22 152.08 45.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.371 -0.831 . . . . 25.0 109.643 172.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.19 161.01 30.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.8 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -51.6 -28.72 14.98 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -96.45 -27.2 15.01 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.048 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA3' ' NH2' ' A' ' 30' ' ' ARG . . . 94.09 17.2 41.3 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.804 -0.634 . . . . 25.0 113.193 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -74.32 -29.55 61.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 122.76 0.424 . . . . 25.0 110.789 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 34.9 mttp -106.44 139.02 41.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.573 -0.74 . . . . 25.0 109.309 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -148.86 129.42 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 120.805 0.335 . . . . 25.0 111.743 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -123.4 147.57 46.98 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.778 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -129.3 142.04 50.94 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.111 0.482 . . . . 25.0 111.707 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 62' ' ' LEU . 40.0 t -129.22 107.69 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.529 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.21 121.36 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.628 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.75 -22.08 58.99 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -172.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 97.7 p -66.06 -12.16 53.53 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.859 0.361 . . . . 25.0 111.3 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.38 16.21 16.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.521 -0.763 . . . . 25.0 110.827 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 63' ' ' ILE . 45.8 mm -110.6 139.35 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.127 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -106.36 -48.44 3.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.568 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HB2' HD12 ' A' ' 63' ' ' ILE . 96.8 mttt -133.52 176.47 8.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.295 0.569 . . . . 25.0 112.047 -179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 127.08 10.44 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.768 -1.106 . . . . 25.0 108.504 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -124.3 116.48 22.7 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.507 0.194 . . . . 25.0 110.828 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.48 148.77 32.44 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.319 -0.4 . . . . 25.0 112.056 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 p -68.47 121.32 80.27 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.431 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -54.95 163.08 4.46 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.849 2.366 . . . . 25.0 113.363 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.71 60.16 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.969 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 p -95.45 -17.21 21.69 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.144 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -71.47 139.66 49.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.859 -0.61 . . . . 25.0 112.46 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.1 mp0 -57.49 -23.17 48.47 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.713 -1.131 . . . . 25.0 112.36 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' B' ' 541' ' ' ASP . 65.4 mttm -96.75 152.94 18.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.203 -1.362 . . . . 25.0 113.515 -169.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.41 ' C ' ' HG3' ' A' ' 59' ' ' MET . 75.7 mtm -124.53 98.31 5.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.02 169.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 68.8 mtp -155.47 157.14 36.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.337 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.12 118.47 14.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.309 -0.859 . . . . 25.0 108.996 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -101.45 146.36 27.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.165 0.507 . . . . 25.0 111.882 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD13 HG11 ' A' ' 40' ' ' VAL . 91.6 mt -128.2 107.92 10.19 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.031 -0.986 . . . . 25.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG12 ' HG2' ' A' ' 86' ' ' ARG . 97.8 mt -90.55 140.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.211 -0.45 . . . . 25.0 109.799 -174.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.74 157.24 22.85 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 116.153 -0.476 . . . . 25.0 114.104 -173.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -83.79 111.9 19.61 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.325 0.583 . . . . 25.0 112.047 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.68 HG21 ' HA ' ' A' ' 84' ' ' PRO . 69.5 t -123.08 143.84 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.833 -1.076 . . . . 25.0 111.453 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -102.68 108.09 19.23 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.823 -1.081 . . . . 25.0 108.531 173.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.47 -1.94 58.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -82.29 2.46 31.97 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.869 0.366 . . . . 25.0 111.607 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.94 33.19 2.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.858 -0.61 . . . . 25.0 110.931 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -46.0 116.62 1.27 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.799 0.84 . . . . 25.0 112.037 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -102.08 154.98 18.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.698 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.14 143.84 50.98 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.036 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -85.02 -169.14 2.51 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.792 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.84 -31.43 64.76 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.471 0.915 . . . . 25.0 113.471 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.05 -22.28 20.83 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.35 22.69 8.04 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 121.473 -0.394 . . . . 25.0 113.2 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -92.02 146.0 24.09 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.1 pm0 -72.82 113.26 9.65 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.43 . . . . 25.0 111.322 -175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.44 100.79 11.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.246 -0.888 . . . . 25.0 109.078 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 58.2 t -94.35 122.48 61.17 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 115.376 -0.829 . . . . 25.0 111.469 -172.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 50.8 Cg_exo -64.63 124.34 13.09 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.041 2.494 . . . . 25.0 112.926 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.17 151.86 38.46 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.54 -175.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.68 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -73.85 148.21 40.56 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.336 2.024 . . . . 25.0 113.676 175.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -92.31 133.87 35.44 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.709 -1.132 . . . . 25.0 110.988 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HG2' HG12 ' A' ' 63' ' ' ILE . 81.7 mtm-85 -117.08 114.52 23.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.862 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 8.6 m80 -97.03 112.72 24.35 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.682 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.1 mtm -101.68 142.38 33.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.948 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -134.61 129.32 34.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.78 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.88 143.65 29.74 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.93 0.395 . . . . 25.0 111.297 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 13.6 m-85 -127.57 175.73 8.03 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.659 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.86 -17.06 6.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.814 -0.63 . . . . 25.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.43 130.22 16.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.469 0.308 . . . . 25.0 110.571 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.678 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.0 mpt_? -62.26 -18.0 60.0 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.4 p -76.71 -25.04 53.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.474 0.31 . . . . 25.0 111.524 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.57 -62.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.678 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 13.3 ptp -47.19 -30.07 2.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.205 1.002 . . . . 25.0 113.524 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.53 -35.23 46.51 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.034 0.209 . . . . 25.0 111.216 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.5 -31.01 57.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.007 0.523 . . . . 25.0 112.177 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -72.45 -53.4 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 172.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.84 -42.53 62.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.997 0.919 . . . . 25.0 112.111 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 ttp -55.14 -52.17 64.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.305 0.642 . . . . 25.0 111.639 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.5 m -60.65 -57.15 13.94 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.242 0.339 . . . . 25.0 110.157 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' LEU . 86.7 mt -43.78 -58.22 2.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.031 0.932 . . . . 25.0 110.914 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -50.7 -32.67 20.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.389 1.076 . . . . 25.0 113.288 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -82.65 -20.29 36.57 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -83.45 -44.98 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.5 0.72 . . . . 25.0 111.967 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.18 -40.16 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 117.812 0.278 . . . . 25.0 111.203 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.7 p -70.36 -14.69 62.68 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -69.0 -32.53 72.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 166.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 66.0 m-85 -91.81 -4.05 55.37 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.052 175.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 92.0 mttt -83.43 -34.73 25.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.842 0.457 . . . . 25.0 110.563 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -86.71 -36.36 18.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.329 -0.85 . . . . 25.0 111.31 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 52.36 83.22 0.06 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.959 0.904 . . . . 25.0 112.509 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.0 t0 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.781 1.232 . . . . 25.0 112.754 -179.301 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.424 -0.27 . . . . 25.0 112.424 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 36.6 t -101.44 109.11 58.09 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 122.364 0.266 . . . . 25.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -59.56 141.68 97.63 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.803 2.336 . . . . 25.0 113.463 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 126.71 78.78 0.29 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.79 -0.641 . . . . 25.0 112.426 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -115.25 111.61 44.48 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-O 119.507 -0.282 . . . . 25.0 110.884 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.07 144.56 92.88 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.488 2.125 . . . . 25.0 113.059 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -111.93 136.02 51.8 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.463 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -132.68 -50.37 0.09 OUTLIER Glycine 0 C--N 1.338 0.658 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.608 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.0 mt -107.23 122.91 47.48 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.991 0.424 . . . . 25.0 110.451 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 83.8 mt -124.91 -23.2 4.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.393 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 32.2 t -151.58 63.12 0.87 Allowed 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.48 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.99 -94.96 2.3 Favored Glycine 0 C--N 1.339 0.732 0 CA-C-N 115.559 -0.746 . . . . 25.0 112.847 -176.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -133.51 -19.78 2.11 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.72 0.295 . . . . 25.0 111.782 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -99.95 15.75 26.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.603 -0.726 . . . . 25.0 111.987 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -70.78 8.16 0.95 Allowed 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.123 -0.944 . . . . 25.0 112.944 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -98.78 -42.1 7.36 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 86.5 p -101.29 -3.81 28.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.988 -0.551 . . . . 25.0 111.518 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 70.8 m -89.14 -30.99 18.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.432 -0.349 . . . . 25.0 110.745 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.0 mt -85.28 -27.81 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.982 -0.554 . . . . 25.0 110.085 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.67 7.6 29.28 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.804 -0.635 . . . . 25.0 110.763 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' B' ' 535' ' ' SER . 36.7 t70 -90.44 -30.82 17.11 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.646 -1.161 . . . . 25.0 109.205 171.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.3 mmm -73.03 -19.84 61.11 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.12 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.534 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 91.5 m-20 -78.36 -35.03 47.94 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.227 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -26.58 27.04 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -172.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -78.82 -18.27 54.33 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.26 -13.56 32.48 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.96 -33.64 19.59 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.71 -25.36 33.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.915 0.388 . . . . 25.0 111.131 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 80.3 p -95.5 -52.2 4.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.019 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 51.21 93.15 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.027 0.931 . . . . 25.0 113.034 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 mt 58.11 78.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.886 0.874 . . . . 25.0 111.081 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 30.1 t 61.08 -73.45 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.418 1.087 . . . . 25.0 112.792 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.031 -0.985 . . . . 25.0 110.528 -179.618 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 N-CA-C 111.86 -0.092 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 4' ' ' SER . 29.5 t -116.77 -61.97 1.65 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.218 0.323 . . . . 25.0 111.375 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.464 ' ND1' HG21 ' A' ' 103' ' ' THR . 5.6 m-70 67.52 -29.73 0.15 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.416 1.086 . . . . 25.0 113.272 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -131.77 144.79 51.2 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.9 0.381 . . . . 25.0 111.702 -176.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -152.25 -117.46 0.73 Allowed Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.194 -0.912 . . . . 25.0 111.766 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.56 127.57 14.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.579 0.352 . . . . 25.0 110.315 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.9 155.11 43.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.813 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 67.1 mt -113.7 140.04 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -143.84 116.91 8.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 63.55 42.88 6.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.895 0.878 . . . . 25.0 112.019 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 70.84 -8.42 0.95 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.691 1.196 . . . . 25.0 113.747 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HE2' ' A' ' 36' ' ' LYS . 72.1 t -93.6 121.99 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -82.1 138.12 34.86 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.326 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -153.14 -157.93 8.29 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.179 -0.919 . . . . 25.0 113.261 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 5' ' ' GLY . 97.4 mt -127.03 136.59 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 114.949 -0.625 . . . . 25.0 109.457 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.3 tt -100.68 136.02 34.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.636 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.23 138.57 40.27 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.554 0.534 . . . . 25.0 111.248 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 20' ' ' GLU . 94.5 mt -96.2 131.65 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.08 0.466 . . . . 25.0 110.246 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -98.98 104.79 16.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.877 -1.056 . . . . 25.0 111.195 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' OE2' HD11 ' A' ' 107' ' ' ILE . 66.5 mt-10 -121.91 167.91 12.51 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 173.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 73.42 2.14 4.2 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.907 0.883 . . . . 25.0 110.513 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.0 -172.43 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.8 164.35 61.8 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 105.295 -2.113 . . . . 25.0 105.295 171.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -41.58 129.65 3.71 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 122.623 1.972 . . . . 25.0 113.512 -141.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.94 139.58 22.05 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.288 -1.324 . . . . 25.0 113.069 -165.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -124.92 172.1 9.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.683 -1.598 . . . . 25.0 111.244 -167.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.667 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 40.6 tp -127.4 109.29 11.62 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.288 -1.005 . . . . 25.0 108.288 174.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 97.0 m -107.02 110.99 23.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.313 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -85.45 137.35 32.97 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.709 -0.678 . . . . 25.0 109.318 168.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm180 -130.95 160.01 35.78 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.956 -1.02 . . . . 25.0 109.263 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 93.7 p -77.84 164.29 25.31 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.69 -31.75 58.39 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.505 0.558 . . . . 25.0 112.505 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.94 -31.26 12.64 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.439 171.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.58 18.16 13.51 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.472 -0.785 . . . . 25.0 113.798 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.9 p-10 -69.99 -25.11 63.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.819 0.448 . . . . 25.0 111.302 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 17.5 mttp -112.96 139.93 48.2 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.789 -0.641 . . . . 25.0 109.447 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.85 128.41 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.697 0.284 . . . . 25.0 110.977 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' THR . 80.6 m80 -125.95 145.02 50.45 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.908 -0.587 . . . . 25.0 109.538 177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.3 128.57 43.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.965 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 58.7 t -112.96 107.62 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.088 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.92 120.87 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -73.53 -22.97 59.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -170.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.8 p -67.46 -2.69 6.79 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.096 0.474 . . . . 25.0 110.906 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.21 3.83 14.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.208 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 47.8 mm -111.96 143.22 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 109.784 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -112.39 -43.26 3.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.326 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.9 mttt -133.19 169.83 16.31 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.783 0.661 . . . . 25.0 112.783 -176.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.799 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.59 132.63 15.25 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.399 -0.819 . . . . 25.0 108.885 178.114 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -134.82 120.62 19.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.55 0.159 . . . . 25.0 110.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.04 147.52 37.06 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 p -63.34 122.53 76.38 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.345 0.658 . . . . 25.0 111.661 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.44 164.57 5.33 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.774 2.316 . . . . 25.0 113.355 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.627 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -74.35 -9.61 58.77 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.954 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -96.79 -9.64 28.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.72 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 137.96 37.54 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 116.025 -0.534 . . . . 25.0 112.295 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.747 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -61.25 -26.13 67.55 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.936 -1.029 . . . . 25.0 111.878 175.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -86.49 142.54 28.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.128 -1.396 . . . . 25.0 112.433 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.427 ' C ' ' HG3' ' A' ' 59' ' ' MET . 97.6 mmm -116.18 96.85 5.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.054 169.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.8 mtt -155.57 156.05 34.42 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.202 -173.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' PHE . 12.9 tp -133.13 119.83 20.45 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.959 -1.019 . . . . 25.0 109.219 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -101.31 145.01 29.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.156 0.503 . . . . 25.0 111.865 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -126.82 106.31 9.25 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.998 -1.001 . . . . 25.0 110.014 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 46.4 mt -85.83 128.76 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.028 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.02 37.72 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.738 -0.664 . . . . 25.0 113.816 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -87.95 111.21 21.22 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.679 0.752 . . . . 25.0 112.802 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.73 148.94 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.159 -1.382 . . . . 25.0 110.028 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -87.99 100.29 12.8 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.665 -0.698 . . . . 25.0 110.179 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.08 -2.27 57.8 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.068 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -81.84 -21.24 37.69 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.559 0.344 . . . . 25.0 111.748 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -84.59 129.41 34.85 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.097 0.475 . . . . 25.0 111.181 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -96.39 122.28 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.219 -0.9 . . . . 25.0 111.873 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 68.2 ttp85 -110.11 142.27 41.82 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 171.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.59 144.39 50.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.808 0.337 . . . . 25.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -82.58 -170.11 2.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.769 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -57.34 -31.5 65.77 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -89.9 -23.21 21.67 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.96 17.4 13.06 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 121.51 -0.376 . . . . 25.0 113.379 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -87.21 147.24 25.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -71.26 119.55 15.55 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.991 0.424 . . . . 25.0 111.367 -174.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 37.3 t -123.62 99.5 6.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.082 -0.963 . . . . 25.0 108.869 172.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.529 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.9 t -90.29 125.14 61.06 Favored Pre-proline 0 CA--C 1.551 1.002 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.591 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -57.76 129.98 36.28 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.077 2.518 . . . . 25.0 113.869 -172.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.23 141.09 22.76 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.469 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.1 152.85 80.22 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.373 2.049 . . . . 25.0 113.752 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -91.69 136.28 33.26 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.264 -0.88 . . . . 25.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 63' ' ' ILE . 80.9 mtt85 -117.7 120.23 37.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.617 -172.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 22.5 m80 -97.23 113.26 24.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.092 -0.504 . . . . 25.0 110.934 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -101.69 140.87 35.39 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.998 0.428 . . . . 25.0 111.499 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.2 m-85 -129.56 130.22 45.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.219 -0.901 . . . . 25.0 109.412 176.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.813 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 41.6 t -88.8 140.79 29.09 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.275 0.56 . . . . 25.0 111.784 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -124.15 176.29 6.49 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.891 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -122.26 -16.33 7.44 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.964 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -141.02 143.77 34.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.692 0.397 . . . . 25.0 111.034 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.627 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -80.68 -22.31 40.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -177.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -78.15 -19.47 53.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 123.067 0.229 . . . . 25.0 111.187 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.17 -62.56 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.965 -0.754 . . . . 25.0 108.965 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -39.26 21.85 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.087 0.555 . . . . 25.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.32 -22.04 61.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.682 -0.69 . . . . 25.0 112.748 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.05 -37.9 15.91 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.838 0.455 . . . . 25.0 112.124 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.72 -54.08 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -52.71 -42.87 65.25 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.795 0.838 . . . . 25.0 111.854 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.7 ttm -52.29 -53.44 44.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.195 0.598 . . . . 25.0 111.794 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.464 HG21 ' ND1' ' A' ' 3' ' ' HIS . 83.6 m -60.15 -57.58 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 176.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.73 -58.36 2.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.097 0.959 . . . . 25.0 110.958 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.427 ' OE1' HD13 ' A' ' 48' ' ' LEU . 70.2 tp60 -50.96 -31.04 16.59 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.253 1.021 . . . . 25.0 113.315 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.77 -20.38 33.42 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.044 -0.526 . . . . 25.0 111.043 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.477 HD11 ' OE2' ' A' ' 20' ' ' GLU . 96.6 mt -82.37 -43.82 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 C-N-CA 123.403 0.681 . . . . 25.0 111.666 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.95 -35.56 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 122.247 0.219 . . . . 25.0 111.131 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -63.7 -18.82 64.39 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.611 0.57 . . . . 25.0 111.888 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -78.07 -42.02 33.54 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.725 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -81.44 -3.52 53.17 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.591 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -89.79 -29.34 18.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.363 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -88.79 -34.73 16.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.529 -0.759 . . . . 25.0 111.243 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.59 88.67 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.026 0.93 . . . . 25.0 112.511 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.3 t0 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.924 -1.035 . . . . 25.0 111.311 179.383 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.498 -0.241 . . . . 25.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 39.9 t -111.18 124.72 32.1 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 122.332 0.253 . . . . 25.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -74.13 -24.54 14.69 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.386 2.057 . . . . 25.0 113.842 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 121.37 -67.65 0.44 Allowed Glycine 0 C--N 1.34 0.782 0 O-C-N 123.372 0.42 . . . . 25.0 112.662 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -115.52 117.68 40.22 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 119.47 -0.3 . . . . 25.0 110.342 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.8 143.16 99.33 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.565 2.177 . . . . 25.0 113.121 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 49.8 t30 62.94 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.061 0.944 . . . . 25.0 111.484 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -178.14 79.06 0.07 OUTLIER Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.635 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.69 30.23 7.3 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.921 0.391 . . . . 25.0 111.771 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.68 0.72 22.33 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.14 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 73.1 p -144.38 -53.62 0.33 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.694 -0.684 . . . . 25.0 110.266 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.69 -44.0 1.58 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.915 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -125.59 -2.25 7.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.902 0.351 . . . . 25.0 111.925 -176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -117.08 12.83 14.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.263 0.554 . . . . 25.0 111.778 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -86.49 -23.03 26.1 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.984 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -92.97 -14.53 27.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.491 0.552 . . . . 25.0 112.491 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 88.9 p -88.78 -3.11 58.85 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.282 0.364 . . . . 25.0 111.682 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.9 p -87.6 -33.99 18.67 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.851 175.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 32.8 mm -90.24 -27.32 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.445 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -85.29 8.68 17.69 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.299 0.571 . . . . 25.0 111.042 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' B' ' 535' ' ' SER . 37.7 t70 -97.42 -32.16 11.99 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.021 -0.991 . . . . 25.0 109.65 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.8 mtp -73.29 -17.51 61.31 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.823 -0.626 . . . . 25.0 110.92 170.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 74.1 m-20 -73.46 -33.12 64.71 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.803 -1.09 . . . . 25.0 112.448 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.65 -23.04 42.81 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -171.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -83.12 -17.59 42.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.36 -20.0 22.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.31 -0.404 . . . . 25.0 111.664 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 91.2 mt -83.92 -35.68 23.87 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 24.8 tp -83.41 -26.01 30.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.952 0.406 . . . . 25.0 110.579 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 78.3 p -99.42 42.87 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.143 -0.935 . . . . 25.0 111.046 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -84.15 -5.64 59.28 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.993 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 97.1 mt -99.4 120.74 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 123.55 0.74 . . . . 25.0 110.238 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 68.7 m -106.75 -42.06 5.06 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.748 -0.66 . . . . 25.0 111.364 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.984 -1.008 . . . . 25.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.555 ' HA ' ' OD1' ' A' ' 99' ' ' ASN . 70.9 Cg_exo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 111.215 -0.341 . . . . 25.0 111.215 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -134.7 134.66 41.31 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.364 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 5.1 m-70 -87.36 -2.47 58.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.575 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -147.26 147.59 30.58 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.073 0.463 . . . . 25.0 111.209 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.05 -122.37 0.91 Allowed Glycine 0 C--N 1.333 0.362 0 CA-C-N 115.098 -0.955 . . . . 25.0 111.958 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.46 122.4 10.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.555 0.342 . . . . 25.0 110.235 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -140.0 154.33 47.1 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.76 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 75.0 mt -112.89 139.09 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.243 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -143.48 120.0 11.04 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 63.11 40.87 8.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.803 0.841 . . . . 25.0 111.969 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 69.64 -6.76 0.97 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.601 1.16 . . . . 25.0 113.828 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -93.82 122.49 45.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 173.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.8 t -82.49 136.25 34.93 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.39 -176.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.22 -159.48 9.0 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.112 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.58 138.42 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.587 . . . . 25.0 109.444 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.46 140.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.543 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.82 145.93 45.05 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.453 0.471 . . . . 25.0 111.147 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 97.2 mt -104.88 139.98 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.327 0.585 . . . . 25.0 109.833 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 6.5 t30 -110.59 99.54 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.599 -1.182 . . . . 25.0 110.471 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.12 167.62 12.94 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.94 3.25 4.56 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.766 0.826 . . . . 25.0 111.641 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 m -102.32 -173.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.26 -1.336 . . . . 25.0 110.287 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -74.66 162.19 74.69 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 169.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -43.16 130.16 6.12 Favored 'Trans proline' 0 C--N 1.376 1.983 0 CA-C-N 122.475 1.92 . . . . 25.0 113.256 -141.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.48 138.88 9.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.075 -1.421 . . . . 25.0 112.927 -165.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.69 138.91 47.43 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -173.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 63.6 tp -96.75 104.98 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.7 m -104.04 109.51 21.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.013 -1.449 . . . . 25.0 111.199 -170.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -84.92 135.44 34.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.336 170.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HG2' HG23 ' A' ' 37' ' ' VAL . 75.7 mtp85 -126.48 163.89 22.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.021 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.7 p -72.45 169.4 16.46 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.2 m -56.77 -28.55 61.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.508 0.594 . . . . 25.0 112.437 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -100.01 -28.97 12.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.477 170.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.96 18.78 21.44 Favored Glycine 0 C--N 1.342 0.892 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.696 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.6 p-10 -68.76 -28.02 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.622 0.369 . . . . 25.0 110.651 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -110.16 141.92 42.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.409 174.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -149.31 135.5 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -175.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -129.22 147.84 51.1 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.372 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.63 129.97 45.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 87.4 t -116.47 107.73 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.703 175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.2 122.31 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 173.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 104' ' ' LEU . 1.2 mm? -79.45 -19.27 50.28 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -70.01 -1.88 11.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.091 0.472 . . . . 25.0 110.483 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -114.81 4.87 15.04 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.167 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -112.57 139.34 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.96 -44.39 4.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.541 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 65.3 mttp -131.81 166.96 20.39 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -148.46 125.56 11.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 178.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -130.18 122.91 29.06 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.318 0.104 . . . . 25.0 111.023 -176.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.36 155.13 27.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.613 0.598 . . . . 25.0 112.613 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.756 HG21 ' HB3' ' A' ' 57' ' ' LYS . 34.0 p -65.32 119.52 60.1 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.63 0.772 . . . . 25.0 111.292 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.809 ' CD ' HD13 ' B' ' 545' ' ' LEU . 52.2 Cg_exo -50.0 166.01 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.209 0 C-N-CA 123.143 2.562 . . . . 25.0 113.674 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.6 -4.53 40.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.867 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -102.99 -17.93 15.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.568 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 t -64.54 144.13 57.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.224 0.61 . . . . 25.0 112.436 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.3 pm0 -65.36 -24.07 67.15 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.483 173.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.756 ' HB3' HG21 ' A' ' 51' ' ' THR . 7.8 mmtp -89.88 143.41 26.82 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.005 -1.452 . . . . 25.0 112.694 -174.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.413 ' HA ' HH12 ' A' ' 94' ' ' ARG . 66.4 mtm -116.23 96.26 5.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.1 -0.954 . . . . 25.0 108.805 169.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 12.8 mtt -155.79 162.78 40.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.174 -174.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 tp -142.06 120.0 12.01 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.162 -0.927 . . . . 25.0 109.535 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' ' 86' ' ' ARG . 53.0 ttp180 -100.44 146.83 26.55 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.979 0.419 . . . . 25.0 111.366 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.678 HD11 HD13 ' A' ' 104' ' ' LEU . 3.7 mm? -127.86 104.77 8.0 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 87.5 mt -85.55 137.78 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.907 -0.588 . . . . 25.0 109.601 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.31 163.0 21.8 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.975 -0.557 . . . . 25.0 113.945 -172.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -81.25 130.36 35.0 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.05 0.54 . . . . 25.0 110.782 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.2 t -92.4 136.61 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.62 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.5 85.83 2.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.913 -1.04 . . . . 25.0 109.156 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -86.41 -1.78 57.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -76.66 0.02 21.82 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.997 0.427 . . . . 25.0 111.638 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -109.7 35.87 3.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.632 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -45.34 121.9 3.2 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.983 0.913 . . . . 25.0 112.486 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -103.06 153.68 20.03 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.219 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -127.04 140.95 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.282 -0.417 . . . . 25.0 109.998 177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -81.61 -171.47 3.34 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.919 -0.582 . . . . 25.0 112.04 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.46 -31.94 64.47 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.464 0.912 . . . . 25.0 113.464 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -90.96 -16.87 27.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.0 0.371 . . . . 25.0 112.0 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 19.51 16.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 121.489 -0.386 . . . . 25.0 113.438 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -88.23 149.77 23.66 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.13 116.22 14.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.091 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.63 100.99 9.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.301 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -93.74 127.32 46.2 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 115.285 -0.871 . . . . 25.0 111.33 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.11 134.49 52.99 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.049 2.499 . . . . 25.0 113.589 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 47.2 mmtm -94.85 164.19 20.21 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 114.854 -1.066 . . . . 25.0 111.447 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.3 Cg_endo -61.56 148.85 92.02 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.181 1.92 . . . . 25.0 113.626 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.68 127.47 39.39 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.052 -0.976 . . . . 25.0 110.737 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' ' 61' ' ' ARG . 1.7 mtm-85 -114.67 125.75 54.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.878 -0.601 . . . . 25.0 110.481 -175.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 6.7 m80 -108.56 116.71 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.866 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 66.8 mtt -96.7 148.56 22.76 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.597 0.237 . . . . 25.0 110.887 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' MET . 99.0 m-85 -138.27 128.19 25.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.547 173.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 18.4 t -87.35 141.04 28.93 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.339 0.59 . . . . 25.0 111.759 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.74 176.2 7.08 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.939 -171.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -126.31 -8.49 6.4 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.801 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -143.92 143.69 31.38 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.928 0.394 . . . . 25.0 111.226 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.413 HH12 ' HA ' ' A' ' 58' ' ' MET . 32.7 mmt180 -80.46 -31.37 37.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.596 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -72.93 -19.34 61.27 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.097 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -77.35 -62.7 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.1 ptm -48.44 -39.75 23.83 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.6 -25.12 63.81 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.555 ' OD1' ' HA ' ' A' ' 1' ' ' PRO . 6.9 m-20 -87.26 -34.47 18.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.087 0.555 . . . . 25.0 111.991 175.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.72 -55.76 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.32 -44.04 54.07 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.896 0.878 . . . . 25.0 112.573 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.4 -59.52 5.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 119.394 -0.336 . . . . 25.0 111.543 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -50.21 -56.51 10.77 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.458 0.474 . . . . 25.0 109.93 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.72 -57.88 2.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.875 0.87 . . . . 25.0 110.97 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -55.99 -30.7 62.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.635 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.53 -20.29 54.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.717 0.407 . . . . 25.0 111.017 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.08 -43.39 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.695 0.798 . . . . 25.0 111.585 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.426 HD12 HD21 ' A' ' 48' ' ' LEU . 85.8 mt -72.5 -34.85 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 122.488 0.315 . . . . 25.0 111.461 -175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.8 p -63.6 -18.95 64.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.68 0.612 . . . . 25.0 111.459 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -77.78 -42.62 33.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.775 172.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -81.67 -0.73 44.03 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.758 -0.655 . . . . 25.0 111.269 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -92.62 -32.68 14.7 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.45 -0.795 . . . . 25.0 110.325 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -91.25 -32.49 15.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.521 -0.763 . . . . 25.0 111.285 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.88 89.64 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.009 0.923 . . . . 25.0 112.435 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 117.894 -1.05 . . . . 25.0 110.316 178.837 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.521 -0.231 . . . . 25.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 19.8 t 62.01 121.63 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 124.201 1.0 . . . . 25.0 112.27 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -73.33 142.61 33.81 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.35 2.033 . . . . 25.0 113.519 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.41 16.92 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.474 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -107.61 99.31 28.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.194 0.198 . . . . 25.0 111.106 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.66 153.72 76.95 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.827 2.352 . . . . 25.0 112.969 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -85.05 -18.22 35.02 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.002 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.53 132.27 8.68 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.413 0.446 . . . . 25.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 83.9 mt 58.32 107.89 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 25.0 111.871 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 51.0 mt -124.32 2.17 8.45 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.468 -1.242 . . . . 25.0 109.181 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 91.8 p -155.61 42.26 0.42 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.935 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -108.69 -96.54 2.44 Favored Glycine 0 C--N 1.34 0.764 0 C-N-CA 121.126 -0.559 . . . . 25.0 112.609 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -138.56 -15.48 1.21 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -101.33 13.16 35.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.211 0.529 . . . . 25.0 112.204 -177.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -86.95 -19.51 28.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.289 -0.869 . . . . 25.0 111.302 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -94.54 -5.95 44.81 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.447 -0.342 . . . . 25.0 111.751 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.7 p -88.09 -3.89 58.83 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.511 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p -87.45 -34.96 18.53 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.989 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 32.9 pt -86.36 -24.96 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.423 174.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.4 9.11 21.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.511 0.672 . . . . 25.0 110.838 172.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -29.33 16.74 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 25.0 109.392 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.8 mmm -74.85 -18.51 60.43 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.571 -0.741 . . . . 25.0 111.103 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.28 -31.21 54.66 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.311 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.854 ' HA ' HD23 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -82.11 -17.19 47.35 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.099 0.778 . . . . 25.0 113.099 -173.537 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -86.64 -21.1 26.93 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.25 -15.41 29.24 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' B' ' 542' ' ' PHE . 3.7 pp -86.21 -33.71 20.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.661 ' HG ' ' CD1' ' B' ' 545' ' ' LEU . 84.2 mt -85.27 -24.14 27.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.038 0.447 . . . . 25.0 110.489 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 49.2 m -106.22 58.83 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.266 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -92.87 2.22 56.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.481 -0.782 . . . . 25.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.7 mt -113.24 122.67 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 72.8 m -109.67 137.07 48.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.794 -0.639 . . . . 25.0 110.869 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.718 -0.658 . . . . 25.0 110.823 179.645 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo . . . . . 0 N--CA 1.484 0.927 0 N-CA-C 111.212 -0.341 . . . . 25.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -135.63 142.67 45.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.223 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -84.44 -9.26 58.54 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.485 -0.78 . . . . 25.0 111.333 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p -143.98 149.55 36.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.059 -174.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.17 -114.57 0.47 Allowed Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.403 -0.817 . . . . 25.0 111.993 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.17 126.61 11.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 122.559 0.344 . . . . 25.0 110.495 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.51 152.41 41.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 -177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 93.3 mt -110.58 137.9 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.37 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -141.39 120.86 13.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.634 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 62.15 39.18 13.1 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.716 0.806 . . . . 25.0 112.096 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.26 -5.27 1.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.653 1.181 . . . . 25.0 113.547 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.13 119.21 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -80.32 137.57 36.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.461 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.59 -158.2 8.57 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.2 -0.909 . . . . 25.0 113.094 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -125.81 138.58 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.119 -0.541 . . . . 25.0 109.643 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.629 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.9 134.4 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.605 -178.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.13 139.49 41.23 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.316 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.1 mt -99.09 134.72 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.775 0.798 . . . . 25.0 110.774 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -100.89 107.54 19.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.671 -1.604 . . . . 25.0 111.36 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.63 167.71 13.08 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 70.78 3.53 4.63 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.669 0.788 . . . . 25.0 111.842 -172.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 23' ' ' SER . 21.2 m -101.87 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.275 -1.33 . . . . 25.0 109.872 176.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.33 163.84 65.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 171.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -41.54 128.88 3.59 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 122.148 1.803 . . . . 25.0 113.272 -141.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 138.19 18.36 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 114.258 -1.337 . . . . 25.0 113.139 -165.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -122.57 171.77 8.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 113.686 -1.597 . . . . 25.0 111.16 -168.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 43.9 tp -127.36 107.68 10.19 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -108.52 112.09 24.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.654 -0.703 . . . . 25.0 111.254 -170.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -86.96 134.34 33.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.465 -0.789 . . . . 25.0 109.593 170.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -127.47 157.19 40.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.709 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 86.5 p -68.41 167.7 14.14 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.4 m -56.19 -28.92 59.99 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.42 -27.0 13.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.006 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 18.2 27.3 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.691 -0.686 . . . . 25.0 113.497 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 8.5 p-10 -70.2 -30.59 67.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.635 0.374 . . . . 25.0 110.746 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.8 mttp -110.13 135.33 51.1 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.617 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.34 134.27 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 120.842 0.353 . . . . 25.0 111.766 -174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.83 147.24 50.43 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.555 176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.39 129.22 44.45 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.868 0.366 . . . . 25.0 111.936 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 83.8 t -112.89 107.35 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.031 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.05 122.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -75.81 -24.0 55.85 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.012 1.115 . . . . 25.0 114.012 -170.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 87.6 p -66.74 -3.47 6.77 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.093 0.473 . . . . 25.0 110.919 174.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.07 4.21 14.61 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.125 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 63' ' ' ILE . 21.6 mm -111.62 141.79 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.513 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -111.84 -44.24 3.49 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.511 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.97 173.72 11.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.9 0.381 . . . . 25.0 111.822 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -150.16 127.42 11.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.466 -0.788 . . . . 25.0 108.883 178.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -124.86 117.42 24.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.325 0.107 . . . . 25.0 110.806 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -112.02 151.74 28.96 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -66.12 118.16 49.91 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.081 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.33 159.71 2.8 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.988 2.459 . . . . 25.0 113.468 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.89 -4.83 30.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.955 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.9 p -101.29 -17.47 16.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.148 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -71.06 136.74 48.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.126 0.57 . . . . 25.0 112.263 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.684 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -57.54 -28.19 63.3 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.898 -1.046 . . . . 25.0 112.278 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -83.84 153.96 23.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.783 -1.553 . . . . 25.0 113.574 -173.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.6 mtt -123.82 98.94 6.03 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.259 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 63.5 mtt -156.4 155.1 31.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.866 -0.606 . . . . 25.0 111.529 -175.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 50' ' ' ALA . 2.3 tp -135.55 119.73 17.71 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.464 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' NH2' ' SD ' ' A' ' 88' ' ' MET . 28.6 ttm180 -104.73 144.92 31.08 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.254 0.549 . . . . 25.0 112.108 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 104' ' ' LEU . 4.2 mm? -128.41 105.22 8.17 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.979 -1.01 . . . . 25.0 110.488 -177.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 45' ' ' ILE . 89.4 mt -85.2 145.14 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.49 160.71 18.99 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.751 -174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.73 131.59 35.46 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.126 0.571 . . . . 25.0 110.926 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.26 133.45 38.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.048 -0.524 . . . . 25.0 111.433 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -106.39 86.47 2.36 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.928 -1.033 . . . . 25.0 109.001 169.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -85.98 -1.8 57.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.962 -0.563 . . . . 25.0 112.173 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.6 -13.69 60.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.552 0.341 . . . . 25.0 111.616 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.14 39.67 1.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.548 0.69 . . . . 25.0 110.726 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 81' ' ' VAL . 27.6 ttmt -44.76 116.97 1.17 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.462 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -102.94 145.96 29.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.068 -0.969 . . . . 25.0 110.078 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.7 138.12 53.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.716 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -77.85 -171.35 2.22 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.031 -0.531 . . . . 25.0 112.339 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.5 -31.88 62.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -88.83 -16.69 31.41 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 22.26 12.92 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.258 -0.428 . . . . 25.0 112.847 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -92.98 148.58 21.88 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.492 0.317 . . . . 25.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -68.7 119.45 13.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.52 -175.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -128.52 99.7 5.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.368 -0.833 . . . . 25.0 108.76 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HG2' ' A' ' 79' ' ' GLU . 93.7 t -97.33 127.36 38.5 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.014 -172.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.27 130.96 38.39 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.94 2.426 . . . . 25.0 113.366 -177.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HB2' ' HD2' ' A' ' 84' ' ' PRO . 65.4 pttt -94.58 161.65 28.25 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.891 -1.05 . . . . 25.0 111.564 -175.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -65.26 149.54 88.42 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.334 2.023 . . . . 25.0 113.683 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -93.52 116.54 29.06 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.083 -0.962 . . . . 25.0 111.01 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 80.1 mtt85 -113.27 132.18 55.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.882 -1.054 . . . . 25.0 110.14 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 88.8 m-70 -121.5 113.03 19.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.108 -172.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.441 ' SD ' ' NH2' ' A' ' 61' ' ' ARG . 60.8 ttp -101.91 135.68 43.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.237 0.541 . . . . 25.0 111.035 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -117.69 165.65 13.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.719 -1.128 . . . . 25.0 108.938 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.476 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -119.23 144.84 46.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.831 0.348 . . . . 25.0 110.582 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -129.61 176.08 8.29 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.593 -0.73 . . . . 25.0 111.861 -172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -123.31 -17.78 6.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.971 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -141.94 143.62 33.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.663 0.385 . . . . 25.0 111.14 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.6 ttt180 -75.4 -28.08 59.3 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.494 -0.775 . . . . 25.0 112.145 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.8 p -74.19 -19.07 60.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.918 -0.583 . . . . 25.0 111.591 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.71 -62.54 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 109.057 -0.719 . . . . 25.0 109.057 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 24.7 ptp -43.78 -50.91 7.62 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.072 0.549 . . . . 25.0 112.213 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' MET . 82.5 m-20 -64.0 -26.08 68.41 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.521 0.513 . . . . 25.0 112.005 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -81.95 -33.18 30.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.867 0.467 . . . . 25.0 111.616 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.92 -51.76 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 48' ' ' LEU . 85.7 tttt -44.99 -51.12 10.2 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.652 1.181 . . . . 25.0 112.3 172.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 ttm -53.79 -53.39 53.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.35 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.4 m -57.77 -61.08 2.78 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.314 0.384 . . . . 25.0 110.066 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 62' ' ' LEU . 91.1 mt -43.12 -57.28 2.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.234 1.014 . . . . 25.0 111.004 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.409 ' OE1' HD11 ' A' ' 48' ' ' LEU . 65.4 tp60 -54.17 -32.44 55.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.001 -1.0 . . . . 25.0 113.242 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -76.41 -22.81 54.24 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.779 0.288 . . . . 25.0 111.779 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.713 ' HB ' HD12 ' A' ' 42' ' ' LEU . 92.4 mt -82.44 -42.28 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.768 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.86 -35.32 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 122.24 0.216 . . . . 25.0 111.106 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.26 -17.96 64.11 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.71 0.631 . . . . 25.0 111.457 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -78.08 -42.01 33.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.948 0.499 . . . . 25.0 110.94 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 78.0 m-85 -84.0 0.12 49.35 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.278 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 49.0 tptt -92.33 -32.2 15.08 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.717 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -98.04 -23.2 15.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.194 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -137.47 78.66 1.7 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.431 0.634 . . . . 25.0 110.944 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 111' ' ' TYR . 67.0 t0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.883 -1.056 . . . . 25.0 111.298 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.467 -0.253 . . . . 25.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 25.8 t -106.55 124.16 36.5 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-O 119.482 -0.294 . . . . 25.0 110.911 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -73.41 139.18 28.4 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.299 1.999 . . . . 25.0 113.54 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 157.88 40.35 0.02 OUTLIER Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.911 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -128.83 97.62 26.58 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 122.395 0.278 . . . . 25.0 110.685 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -67.16 -35.61 24.33 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.623 2.215 . . . . 25.0 113.495 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -108.85 135.1 50.61 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.29 0.369 . . . . 25.0 110.981 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 158.04 -36.03 0.53 Allowed Glycine 0 C--N 1.338 0.689 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.912 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 84.7 mt -100.69 22.31 12.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 122.395 0.278 . . . . 25.0 111.591 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.44 -6.66 15.39 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 121.281 0.562 . . . . 25.0 110.82 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.5 t -148.76 108.62 4.04 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.118 -0.947 . . . . 25.0 109.098 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -95.74 35.49 4.29 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.179 -0.534 . . . . 25.0 113.492 -175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -137.26 -20.16 1.23 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.708 0.289 . . . . 25.0 110.928 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -110.01 4.96 21.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.661 -0.7 . . . . 25.0 112.047 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.81 0.47 49.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.071 -0.968 . . . . 25.0 111.408 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.15 -28.18 15.19 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.575 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 95.4 p -96.9 -6.77 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.573 0.546 . . . . 25.0 111.632 177.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 93.7 p -81.0 -27.63 35.8 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.204 -0.453 . . . . 25.0 110.59 172.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.1 pt -89.52 -17.44 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.66 -0.7 . . . . 25.0 109.883 171.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -86.14 1.93 48.7 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.408 0.623 . . . . 25.0 111.435 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -87.27 -23.9 24.53 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.726 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -75.25 -25.63 58.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.804 -1.089 . . . . 25.0 110.924 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -84.93 -33.12 22.75 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.459 -0.791 . . . . 25.0 112.279 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -18.23 35.98 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 -174.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -86.09 -17.59 34.69 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.773 0.286 . . . . 25.0 111.773 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.18 -15.2 29.71 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.24 0.338 . . . . 25.0 111.88 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.6 -34.45 19.86 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.3 mt -79.68 -30.8 41.25 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.873 0.368 . . . . 25.0 111.376 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 85.1 p -92.5 -55.19 3.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.166 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 52.18 100.52 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.085 0.954 . . . . 25.0 112.655 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 69.6 mt -123.33 126.77 73.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.996 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 77.8 p -114.67 -30.99 6.31 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.745 -0.661 . . . . 25.0 111.558 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 124.063 0.945 . . . . 25.0 111.787 -179.251 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 111.63 -0.181 . . . . 25.0 111.63 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' A' ' 99' ' ' ASN . 82.5 p -137.23 21.44 2.98 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.58 -177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.536 ' HA ' HD12 ' A' ' 18' ' ' ILE . 93.6 m-70 -99.49 -31.41 11.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.372 -0.376 . . . . 25.0 111.931 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -132.07 138.57 48.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.017 0.437 . . . . 25.0 111.902 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.17 -114.57 0.73 Allowed Glycine 0 C--N 1.334 0.423 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.781 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.608 0.363 . . . . 25.0 110.54 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.33 154.38 41.6 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.763 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 96.9 mt -112.76 137.48 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.525 -0.761 . . . . 25.0 109.065 175.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -141.13 117.58 10.82 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.171 -0.468 . . . . 25.0 109.791 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 63.69 41.07 7.34 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.879 0.872 . . . . 25.0 112.031 -177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 70.67 -7.54 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.705 1.202 . . . . 25.0 113.611 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.92 121.21 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.488 ' HA ' HG12 ' A' ' 8' ' ' ILE . 47.3 t -81.75 135.93 35.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.273 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.77 -157.47 8.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.067 -0.97 . . . . 25.0 113.013 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' GLY . 93.3 mt -126.3 138.74 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.189 -0.506 . . . . 25.0 109.847 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.76 135.43 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.392 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 141.14 42.32 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.989 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.7 mt -99.54 129.59 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.338 0.589 . . . . 25.0 110.633 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.63 105.67 17.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.562 -1.199 . . . . 25.0 111.405 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -121.29 168.29 11.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 71.46 3.7 4.77 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 123.733 0.813 . . . . 25.0 111.691 -172.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.47 -172.5 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 114.275 -1.329 . . . . 25.0 110.167 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -73.64 159.83 83.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 105.27 -2.122 . . . . 25.0 105.27 171.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.78 130.28 2.76 Favored 'Trans proline' 0 C--N 1.374 1.911 0 CA-C-N 122.193 1.819 . . . . 25.0 114.029 -139.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.4 138.55 7.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 113.826 -1.534 . . . . 25.0 113.462 -168.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.57 171.29 10.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.371 -1.741 . . . . 25.0 110.808 -169.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -121.29 121.39 37.59 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 167.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.33 107.98 16.29 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.795 -175.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -84.53 136.2 33.9 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 74.9 mtp85 -126.76 165.73 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.006 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.6 p -73.77 166.53 23.15 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 175.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 m -53.77 -29.96 42.42 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 25.0 112.763 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -99.66 -31.34 11.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.589 170.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 18.94 10.78 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.572 -0.74 . . . . 25.0 114.204 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.92 -30.38 69.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.891 0.345 . . . . 25.0 110.835 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 60.5 mttp -106.15 143.27 34.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 173.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.32 136.7 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.818 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -133.14 146.83 51.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.628 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -129.33 140.7 51.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.09 0.472 . . . . 25.0 111.895 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG11 HD22 ' A' ' 62' ' ' LEU . 22.9 t -126.48 108.16 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.584 176.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.15 122.68 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -77.51 -21.7 52.34 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -67.95 -4.05 11.86 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.227 0.537 . . . . 25.0 110.569 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.25 3.21 14.22 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.218 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 63' ' ' ILE . 48.0 mm -109.1 139.67 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.329 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -105.32 -49.56 3.42 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.524 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 48' ' ' LEU . 57.7 mttp -132.21 174.98 9.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 122.611 0.364 . . . . 25.0 111.294 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' HG ' ' A' ' 62' ' ' LEU . 15.3 mt -150.61 137.6 19.22 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 96.4 mt-30 -134.33 118.84 17.95 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.573 0.212 . . . . 25.0 111.573 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.695 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.2 152.48 28.35 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.781 ' CG2' ' H ' ' A' ' 59' ' ' MET . 9.2 t -71.33 122.46 87.14 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 123.252 0.621 . . . . 25.0 111.523 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.01 163.55 4.17 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.014 2.476 . . . . 25.0 113.463 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -12.82 61.5 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.986 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -95.76 -16.7 21.75 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.367 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 57' ' ' LYS . 29.5 t -68.97 146.29 52.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.339 0.656 . . . . 25.0 112.545 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -4.95 2.36 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.564 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' HG21 ' A' ' 51' ' ' THR . 75.9 mmtt -120.73 147.13 45.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.72 -1.127 . . . . 25.0 112.667 -163.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.677 ' HA ' HG21 ' A' ' 51' ' ' THR . 73.3 mtm -120.03 95.84 4.92 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.701 -1.136 . . . . 25.0 108.701 168.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.781 ' H ' ' CG2' ' A' ' 51' ' ' THR . 8.0 ptp -156.02 159.04 38.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.837 -174.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 15.0 tp -135.44 119.51 17.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.927 -1.033 . . . . 25.0 109.05 178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.64 ' HE ' ' HD1' ' B' ' 542' ' ' PHE . 91.7 mtt-85 -104.68 144.29 31.92 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.314 0.578 . . . . 25.0 112.006 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 5.5 mp -123.91 107.82 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.767 -1.106 . . . . 25.0 110.517 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 45' ' ' ILE . 79.3 mt -85.44 130.24 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.956 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.77 170.98 35.53 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.711 -0.677 . . . . 25.0 113.854 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -92.0 122.09 34.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 84' ' ' PRO . 1.5 t -121.16 149.44 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.896 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -89.39 104.47 17.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.92 -1.036 . . . . 25.0 109.789 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -85.64 -1.18 56.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.613 -0.721 . . . . 25.0 112.53 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -83.42 -15.99 47.57 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.42 33.64 0.69 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.372 0.669 . . . . 25.0 111.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -46.49 120.45 2.89 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.035 0.934 . . . . 25.0 112.376 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -99.74 151.61 21.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.539 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.38 141.61 51.84 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.891 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -83.76 -170.03 2.87 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.891 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.07 -31.66 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -90.01 -15.82 31.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.987 0.365 . . . . 25.0 111.987 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.85 30.37 Favored Glycine 0 C--N 1.34 0.769 0 O-C-N 123.365 0.416 . . . . 25.0 112.806 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.58 145.12 27.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.546 0.338 . . . . 25.0 110.163 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -73.42 117.36 15.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.13 -0.486 . . . . 25.0 111.174 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.76 100.83 8.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.146 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 79' ' ' GLU . 66.0 t -98.98 128.92 30.84 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.811 -170.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 122.3 8.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.719 2.279 . . . . 25.0 111.672 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.48 160.59 30.17 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 114.668 -1.151 . . . . 25.0 112.877 -172.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 42.4 Cg_exo -63.75 155.84 61.15 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.357 2.705 . . . . 25.0 113.931 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -89.96 162.44 15.4 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.143 -0.935 . . . . 25.0 110.513 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' B' ' 539' ' ' ASP . 84.5 mtm-85 -144.86 125.84 14.48 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.055 0.455 . . . . 25.0 110.984 -175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 90.0 m-70 -102.01 155.79 17.95 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.164 -0.926 . . . . 25.0 109.868 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.4 ttp -139.83 143.29 36.73 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.996 0.427 . . . . 25.0 111.17 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -135.18 129.53 33.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.328 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.763 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 13.8 t -87.55 141.27 28.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.354 0.597 . . . . 25.0 111.908 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 11.9 m-85 -123.94 175.4 6.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.7 -1.137 . . . . 25.0 111.539 -172.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -123.21 -17.1 6.73 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.136 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -146.12 128.28 15.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.867 0.365 . . . . 25.0 110.964 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -58.46 -20.43 45.17 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.882 0.873 . . . . 25.0 113.304 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.1 p -75.43 -31.72 60.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.187 0.304 . . . . 25.0 111.45 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.5 -62.11 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.695 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.8 ttp -48.66 -31.77 7.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.101 0.96 . . . . 25.0 113.538 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -81.21 -22.49 38.78 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 2' ' ' SER . 2.9 m-80 -86.74 -33.86 19.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.65 0.38 . . . . 25.0 111.734 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.72 -52.27 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.6 tttt -55.28 -40.06 70.57 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.682 0.793 . . . . 25.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.6 ttp -54.81 -49.4 71.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.215 0.606 . . . . 25.0 111.426 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.7 m -62.21 -57.44 11.43 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.245 0.341 . . . . 25.0 110.129 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 101' ' ' LYS . 85.1 mt -43.84 -59.48 2.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.909 0.884 . . . . 25.0 110.795 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -50.75 -30.31 13.65 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.125 0.97 . . . . 25.0 113.496 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.06 -20.59 28.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 25.0 111.132 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.9 -42.07 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.143 0.577 . . . . 25.0 111.508 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.46 -34.85 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 117.699 0.227 . . . . 25.0 110.934 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -63.79 -16.99 62.62 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.617 0.573 . . . . 25.0 111.735 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.48 -41.64 23.98 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.468 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -82.11 -2.47 52.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.349 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -89.24 -28.6 19.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.377 -0.829 . . . . 25.0 109.999 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.78 -17.52 25.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.169 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.83 -4.85 56.16 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.365 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.3 t0 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 117.946 -1.026 . . . . 25.0 110.358 -179.448 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.509 -0.236 . . . . 25.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 33.8 t -112.06 106.64 56.21 Favored Pre-proline 0 CA--C 1.545 0.767 0 O-C-N 123.651 0.265 . . . . 25.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -63.3 148.48 92.87 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.695 2.263 . . . . 25.0 113.099 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -150.62 106.04 0.3 Allowed Glycine 0 C--N 1.338 0.686 0 CA-C-N 115.976 -0.556 . . . . 25.0 112.576 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 82.6 t80 57.76 92.94 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.281 0 C-N-CA 123.946 0.898 . . . . 25.0 112.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.81 148.35 76.86 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.644 2.229 . . . . 25.0 113.165 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.84 136.16 47.15 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.122 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 526' ' ' GLY . . . . . 0.449 ' HA3' ' OD2' ' B' ' 533' ' ' ASP . . . 116.83 95.18 1.86 Allowed Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.077 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' B' ' 529' ' ' SER . 54.9 mt -120.93 179.86 4.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.863 0.363 . . . . 25.0 111.36 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 68.7 mt 62.43 -15.13 0.05 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.249 1.42 . . . . 25.0 112.945 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 529' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 527' ' ' LEU . 9.9 t -141.28 -58.13 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.225 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.42 6.74 89.11 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 116.019 -0.537 . . . . 25.0 114.174 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -131.26 -1.42 4.0 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.417 0.287 . . . . 25.0 111.693 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -97.68 7.76 45.86 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 122.93 0.492 . . . . 25.0 112.308 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 533' ' ' ASP . . . . . 0.449 ' OD2' ' HA3' ' B' ' 526' ' ' GLY . 5.7 m-20 -102.95 -24.91 13.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.21 -0.904 . . . . 25.0 111.464 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.01 -14.28 19.53 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -85.83 -3.51 58.93 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.248 0.343 . . . . 25.0 111.692 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.8 p -85.01 -37.37 20.47 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.857 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 40.6 pt -89.51 -21.3 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.844 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.09 9.83 18.58 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.392 0.615 . . . . 25.0 110.912 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -94.8 -32.04 13.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.877 -1.056 . . . . 25.0 109.827 175.088 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 95.2 mmm -73.16 -17.14 61.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.948 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -78.53 -29.7 46.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.21 -0.904 . . . . 25.0 112.588 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.64 ' HD1' ' HE ' ' A' ' 61' ' ' ARG . 1.3 t80 -82.56 -17.72 43.92 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -173.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 87.7 p -86.14 -19.74 29.68 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.2 -15.38 29.38 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.304 0.378 . . . . 25.0 111.894 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 90.5 mt -86.56 -32.88 20.44 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.827 0.677 . . . . 25.0 112.827 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.07 -31.27 30.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.834 0.349 . . . . 25.0 111.248 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.4 p -90.52 -54.64 3.91 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 50.33 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.065 0.946 . . . . 25.0 112.639 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 98.2 mt -110.28 115.48 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.692 -0.686 . . . . 25.0 109.654 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 42.0 t -116.44 133.27 56.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.027 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.706 -0.664 . . . . 25.0 110.794 179.715 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo . . . . . 0 N--CA 1.482 0.828 0 N-CA-C 111.177 -0.355 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -142.53 133.57 25.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.706 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -83.05 -10.86 58.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.988 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 97.3 p -137.93 156.71 47.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.124 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -168.17 -131.32 1.28 Allowed Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.632 -0.713 . . . . 25.0 111.906 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.36 130.76 41.13 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.417 0.151 . . . . 25.0 110.72 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.24 151.57 40.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.654 -178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.747 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 74.8 mt -113.0 132.09 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -137.8 116.41 12.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.187 -0.46 . . . . 25.0 109.93 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.19 39.9 7.2 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.883 0.873 . . . . 25.0 111.75 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 69.21 -4.68 1.23 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.697 1.199 . . . . 25.0 113.594 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.23 113.99 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 171.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.412 ' HA ' HG12 ' A' ' 8' ' ' ILE . 33.3 t -74.5 133.14 42.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.034 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.14 -160.06 8.65 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.224 -0.898 . . . . 25.0 113.516 -174.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' GLY . 13.6 mt -127.28 133.19 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 114.822 -0.689 . . . . 25.0 109.972 -178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG13 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -100.82 132.72 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.635 -179.22 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.21 135.8 37.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 25.0 111.224 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 26' ' ' GLU . 79.5 mt -96.24 134.66 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 121.794 0.807 . . . . 25.0 110.645 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -100.44 105.73 17.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.663 -1.608 . . . . 25.0 111.132 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' OE2' HD11 ' A' ' 107' ' ' ILE . 92.9 mt-10 -119.72 167.89 11.61 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 173.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 73.71 1.12 3.84 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.961 0.905 . . . . 25.0 110.639 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -103.03 -172.65 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 114.711 -1.132 . . . . 25.0 110.107 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.77 160.84 81.09 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 171.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -40.95 128.99 2.87 Favored 'Trans proline' 0 C--N 1.37 1.702 0 CA-C-N 121.856 1.698 . . . . 25.0 113.664 -139.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.6 137.0 9.58 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.041 -1.436 . . . . 25.0 113.264 -168.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.5 mt-10 -121.54 172.17 8.28 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.403 -1.726 . . . . 25.0 111.041 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 22.8 tp -128.27 105.56 8.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 174.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -105.46 111.55 24.3 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.376 -171.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 74.2 t90 -85.87 137.52 32.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.532 170.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -129.57 167.41 17.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.03 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.516 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.5 p -77.34 170.69 16.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.524 0.602 . . . . 25.0 112.546 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.32 -31.04 13.09 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 169.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.91 18.29 15.93 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.258 -0.883 . . . . 25.0 113.753 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -68.43 -29.33 67.97 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.782 0.433 . . . . 25.0 111.642 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 1.2 mttp -104.36 140.9 37.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 7.7 p -149.12 140.57 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 -174.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -137.03 147.49 46.23 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.267 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.5 m -129.28 131.4 46.98 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 93.4 t -116.61 107.82 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.217 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -80.53 122.41 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.32 -23.78 50.92 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 82.4 p -67.02 -3.5 7.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.186 0.517 . . . . 25.0 110.577 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.3 p -115.51 -2.85 12.44 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.722 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.4 mm -102.05 144.62 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.741 0.816 . . . . 25.0 109.338 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -110.18 -45.41 3.59 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.861 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.636 ' HB2' HD12 ' A' ' 63' ' ' ILE . 63.0 mttp -133.06 174.67 10.11 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.943 0.401 . . . . 25.0 111.909 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 7.1 tt -150.17 129.86 13.19 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.606 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 18.5 mt-30 -127.26 114.55 17.77 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.751 0.31 . . . . 25.0 111.677 -176.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.41 157.85 21.39 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.877 HG21 ' HA ' ' A' ' 58' ' ' MET . 4.8 t -75.34 125.22 89.14 Favored Pre-proline 0 N--CA 1.481 1.108 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.411 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -57.8 163.26 9.49 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.715 2.277 . . . . 25.0 112.984 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.33 55.87 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.997 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.8 p -95.59 -17.65 21.21 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.89 -0.595 . . . . 25.0 110.958 173.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.455 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -70.84 140.97 51.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.57 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.92 -17.42 64.33 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.968 -1.015 . . . . 25.0 111.773 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.68 154.99 16.93 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.769 -1.105 . . . . 25.0 112.978 -172.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.877 ' HA ' HG21 ' A' ' 51' ' ' THR . 75.2 mtm -127.65 99.03 5.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.823 -1.081 . . . . 25.0 108.991 169.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.694 ' H ' ' CG2' ' A' ' 51' ' ' THR . 11.1 ptp -155.67 158.42 38.25 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.861 -173.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -140.61 118.31 11.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.086 -0.961 . . . . 25.0 108.999 176.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 67.4 mtp85 -103.29 145.99 29.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.194 0.521 . . . . 25.0 111.711 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -126.69 106.67 9.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.801 -1.09 . . . . 25.0 109.956 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.654 HG12 ' HG2' ' A' ' 86' ' ' ARG . 8.2 mt -85.64 129.41 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.112 -173.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.88 159.52 34.46 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.763 -0.653 . . . . 25.0 113.089 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.53 117.24 21.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' A' ' 84' ' ' PRO . 7.9 t -121.79 143.37 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 114.589 -1.187 . . . . 25.0 110.544 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.5 93.57 6.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.399 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.75 -1.28 3.66 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 -173.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -81.3 2.68 27.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.655 0.382 . . . . 25.0 111.711 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -91.69 27.42 2.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.01 0.524 . . . . 25.0 111.245 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -47.93 119.09 2.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.905 0.882 . . . . 25.0 112.399 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -105.94 154.56 20.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.334 -0.848 . . . . 25.0 110.303 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.66 143.7 51.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.41 -0.359 . . . . 25.0 110.116 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -85.18 -171.11 3.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.695 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.89 -31.64 66.94 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -88.77 -18.07 28.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 14.71 31.48 Favored Glycine 0 C--N 1.343 0.94 0 C-N-CA 121.505 -0.378 . . . . 25.0 113.552 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -83.58 147.99 27.43 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.707 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -75.03 114.01 13.02 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.278 -174.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.64 100.98 11.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.235 176.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.53 126.74 44.44 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 115.338 -0.847 . . . . 25.0 111.548 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.21 127.55 15.2 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.827 2.351 . . . . 25.0 112.378 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 149.72 36.73 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.717 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.575 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -71.25 148.2 55.06 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.611 2.207 . . . . 25.0 113.638 177.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -92.48 136.1 33.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.655 -1.157 . . . . 25.0 110.945 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.654 ' HG2' HG12 ' A' ' 63' ' ' ILE . 99.9 mtt180 -115.95 139.59 50.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.252 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 -105.71 112.13 25.08 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.773 0.321 . . . . 25.0 110.262 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.7 ttt -100.04 138.62 36.86 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.995 -175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -131.15 126.67 36.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.596 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.747 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 22.6 t -81.76 136.18 35.44 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.328 0.585 . . . . 25.0 111.219 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 97' ' ' MET . 8.9 m-85 -117.01 175.57 5.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.612 -173.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -122.66 -15.22 7.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.5 -0.773 . . . . 25.0 111.299 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -151.24 132.15 14.2 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.956 0.502 . . . . 25.0 110.457 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 10.6 mpt_? -62.5 -18.32 61.63 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 p -75.78 -29.35 58.74 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.089 0.243 . . . . 25.0 111.308 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.5 -62.5 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.644 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 22.8 ptp -46.63 -32.95 3.82 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.145 0.978 . . . . 25.0 113.438 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -80.11 -24.76 40.31 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.058 0.224 . . . . 25.0 111.583 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -85.61 -31.31 22.68 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.413 0.446 . . . . 25.0 111.762 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 104' ' ' LEU . 32.0 mm -71.56 -53.11 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 172.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -50.93 -43.95 60.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.7 0.8 . . . . 25.0 111.78 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.53 -51.79 64.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.242 0.617 . . . . 25.0 111.641 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 107' ' ' ILE . 11.3 m -58.85 -61.09 2.88 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.554 ' CD2' HG22 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -43.25 -59.42 2.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.288 1.035 . . . . 25.0 110.978 177.059 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -49.65 -32.36 12.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.139 0.975 . . . . 25.0 113.597 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.29 -20.65 34.04 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.401 0.438 . . . . 25.0 111.225 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.693 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 60.5 mt -85.62 -34.25 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 123.546 0.738 . . . . 25.0 111.664 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.1 -43.14 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 118.181 0.446 . . . . 25.0 110.88 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.49 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 89.0 p -63.16 -22.54 66.93 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.195 0.522 . . . . 25.0 110.386 173.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 50.1 tpt85 -68.64 -39.02 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.612 1.165 . . . . 25.0 111.253 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 43' ' ' SER . 70.0 m-85 -90.27 -6.79 54.77 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.83 175.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 64.6 tttm -86.24 -30.85 22.04 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.158 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.16 -34.62 16.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.413 -0.812 . . . . 25.0 111.163 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.0 85.08 0.05 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.987 0.915 . . . . 25.0 112.506 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 124.668 1.187 . . . . 25.0 112.598 -179.243 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.6 -0.2 . . . . 25.0 112.6 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 34.9 t -115.41 131.24 23.71 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 122.306 0.242 . . . . 25.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.44 -18.74 25.85 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.512 2.141 . . . . 25.0 114.051 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 148.51 -68.87 0.35 Allowed Glycine 0 C--N 1.34 0.767 0 O-C-N 123.467 0.48 . . . . 25.0 112.461 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -112.14 112.53 52.41 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 122.343 0.257 . . . . 25.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -64.04 141.99 79.21 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.432 2.088 . . . . 25.0 113.05 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.98 140.82 48.87 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.287 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -100.25 148.24 18.34 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.548 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.84 20.02 18.21 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.83 0.348 . . . . 25.0 111.433 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.3 mt -75.06 11.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.579 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 84.3 p -127.48 -19.74 4.15 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -88.48 -10.77 67.39 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 116.344 -0.389 . . . . 25.0 113.388 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.15 -0.86 11.49 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.882 0.372 . . . . 25.0 110.852 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -104.42 8.81 35.82 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.324 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -101.39 -10.28 20.38 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.135 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.84 -5.78 52.77 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.813 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 98.0 p -88.51 -7.64 56.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.246 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 91.8 p -80.24 -31.76 38.45 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.219 -0.446 . . . . 25.0 110.841 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.3 pt -88.19 -18.51 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 123.534 0.521 . . . . 25.0 110.321 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -89.48 9.37 26.73 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.439 0.637 . . . . 25.0 110.712 171.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 86' ' ' ARG . 33.5 t70 -93.57 -33.85 13.56 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.771 -1.104 . . . . 25.0 109.696 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.2 mmm -71.34 -15.83 62.41 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.949 170.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -77.94 -38.52 45.19 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.301 -0.863 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 20.8 t80 -84.65 -28.45 26.42 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -70.04 -25.01 63.36 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.85 -15.89 29.18 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.231 0.332 . . . . 25.0 111.467 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 42.9 mt -87.07 -34.96 18.98 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.961 -0.563 . . . . 25.0 112.164 -177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -84.41 -24.39 29.63 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.967 0.413 . . . . 25.0 110.713 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 55.9 m -98.95 69.53 1.78 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.334 174.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -102.26 71.67 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.308 -0.86 . . . . 25.0 111.108 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 93.6 mt -119.38 -36.54 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.721 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 40.0 t -115.16 138.44 50.91 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.743 -0.646 . . . . 25.0 110.617 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.6 t . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.988 0.423 . . . . 25.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.51 -119.33 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.175 -0.921 . . . . 25.0 111.957 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.14 123.63 10.37 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.751 0.42 . . . . 25.0 110.321 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -141.0 152.87 45.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 86.8 mt -112.63 138.24 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.736 -0.665 . . . . 25.0 109.27 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -140.91 121.73 14.42 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.912 -0.586 . . . . 25.0 109.636 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 61.12 39.47 16.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.714 0.806 . . . . 25.0 112.06 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.61 -6.35 1.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.581 1.152 . . . . 25.0 113.767 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 36' ' ' LYS . 88.9 t -93.53 120.86 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 173.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -81.96 137.0 35.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.513 -175.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.65 -158.89 8.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.873 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.73 138.71 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.475 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 140.04 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.545 -178.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.0 140.91 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.469 0.481 . . . . 25.0 111.129 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.27 140.26 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.427 0.632 . . . . 25.0 109.964 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.5 t30 -110.88 100.2 8.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.425 -1.261 . . . . 25.0 110.54 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -122.56 167.36 13.48 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.16 2.5 4.34 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.932 0.893 . . . . 25.0 110.594 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.72 -173.45 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.785 -1.098 . . . . 25.0 110.517 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.47 159.91 82.41 Favored Pre-proline 0 N--CA 1.471 0.601 0 N-CA-C 105.319 -2.104 . . . . 25.0 105.319 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.88 130.07 4.17 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.425 1.902 . . . . 25.0 113.502 -140.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.02 132.25 15.42 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.975 -1.466 . . . . 25.0 112.79 -167.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -128.79 141.84 51.18 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.016 -0.993 . . . . 25.0 113.093 -173.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 47.8 tp -96.72 105.12 17.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -104.87 107.99 19.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.373 -1.285 . . . . 25.0 111.187 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -85.3 131.94 34.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.445 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -126.18 157.25 38.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.604 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.555 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.7 p -67.93 167.92 12.76 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.2 -0.429 . . . . 25.0 109.971 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.45 -30.08 51.66 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -98.69 -31.65 11.8 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.219 -0.446 . . . . 25.0 109.954 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.99 17.96 15.0 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 115.596 -0.729 . . . . 25.0 113.898 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.5 p-10 -69.08 -28.92 66.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.602 0.361 . . . . 25.0 111.517 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 3.7 mttp -107.12 138.49 43.19 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.18 132.5 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 120.955 0.407 . . . . 25.0 111.788 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -124.89 144.26 50.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.216 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -128.92 129.18 45.15 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.5 t -114.73 107.68 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.507 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.41 118.62 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 104' ' ' LEU . 2.6 mm? -76.52 -17.63 59.16 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -171.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -70.37 -4.05 20.44 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.114 0.483 . . . . 25.0 110.413 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.79 -0.24 12.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.048 -0.978 . . . . 25.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.0 mm -103.29 141.57 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.433 0.693 . . . . 25.0 109.758 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -108.84 -42.54 4.45 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 25.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 96.7 mttt -133.5 171.87 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.728 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.46 129.65 12.75 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 115.434 -0.803 . . . . 25.0 109.141 177.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -127.67 125.29 39.82 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.691 0.223 . . . . 25.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.52 151.9 35.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 58' ' ' MET . 9.2 t -67.75 120.57 74.54 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 122.987 0.515 . . . . 25.0 111.357 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.4 164.03 7.61 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.648 2.232 . . . . 25.0 113.176 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.25 -7.66 53.49 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.782 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -93.81 -18.06 22.43 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.922 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -73.54 139.5 45.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.733 -0.667 . . . . 25.0 112.223 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.19 -14.46 60.67 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.108 -0.951 . . . . 25.0 111.981 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -97.58 150.74 20.8 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.699 -1.137 . . . . 25.0 113.114 -170.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.675 ' HA ' HG21 ' A' ' 51' ' ' THR . 66.4 mtm -120.64 97.85 5.75 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.085 -0.961 . . . . 25.0 109.102 168.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.603 ' H ' ' CG2' ' A' ' 51' ' ' THR . 10.0 ptp -157.6 160.66 38.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.603 -174.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.1 tp -142.17 119.53 11.57 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.426 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -99.91 145.78 27.41 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.829 0.347 . . . . 25.0 111.138 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 3.8 mm? -127.86 114.1 16.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.598 -0.728 . . . . 25.0 109.86 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 6.1 mt -93.62 125.27 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.117 -170.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.65 166.33 41.35 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.542 -0.754 . . . . 25.0 113.472 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.236 0.353 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 -178.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.6 p -79.16 -1.81 37.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.712 0.291 . . . . 25.0 111.729 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -97.19 34.51 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.784 -0.644 . . . . 25.0 110.874 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -46.02 121.79 3.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.159 0.984 . . . . 25.0 112.425 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -102.61 152.14 21.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.891 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.28 147.9 50.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.368 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.446 ' OD2' ' HB2' ' A' ' 78' ' ' ASN . 10.7 p30 -83.72 -175.72 5.95 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.294 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.38 -32.42 64.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.27 -11.91 36.72 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.17 8.5 Favored Glycine 0 C--N 1.34 0.784 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.8 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' HB2' ' OD2' ' A' ' 74' ' ' ASP . 72.7 m-20 -88.27 140.25 29.67 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.6 0.36 . . . . 25.0 110.41 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.8 tt0 -72.88 114.56 11.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.991 -175.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.2 100.63 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.039 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.6 t -98.05 127.04 38.1 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.137 -0.938 . . . . 25.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.45 128.68 20.76 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 25.0 112.696 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.541 0.605 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.52 -173.478 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.533 0.206 . . . . 25.0 110.829 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 94.8 mtp -96.61 147.06 24.27 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.678 0.275 . . . . 25.0 111.186 -176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -137.66 126.62 24.17 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.692 174.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -83.87 144.58 29.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.972 0.415 . . . . 25.0 111.299 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.32 176.1 8.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.786 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -122.13 -15.59 7.7 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.517 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -142.36 143.6 32.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.85 0.46 . . . . 25.0 111.106 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 94' ' ' ARG . 30.2 mmt-85 -79.5 -18.39 52.08 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.87 -0.604 . . . . 25.0 112.251 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.9 -19.34 57.54 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.378 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.75 -62.21 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptp -46.14 -39.84 10.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.4 -25.06 62.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.253 -0.431 . . . . 25.0 111.785 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.15 -32.84 19.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.003 0.521 . . . . 25.0 111.954 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.08 -53.5 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -54.21 -41.43 68.63 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.999 0.92 . . . . 25.0 112.156 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -53.0 58.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.105 0.562 . . . . 25.0 111.411 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -60.96 -56.95 15.03 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.278 0.361 . . . . 25.0 110.17 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.7 mt -43.66 -58.56 2.61 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.944 0.898 . . . . 25.0 110.8 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -50.38 -31.57 15.13 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -84.01 -20.32 32.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.974 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.73 -44.83 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.392 0.677 . . . . 25.0 111.471 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.3 -33.09 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.2 0.2 . . . . 25.0 110.893 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.6 p -65.35 -19.12 65.81 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.754 0.659 . . . . 25.0 111.767 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.84 -41.14 30.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.624 0.37 . . . . 25.0 110.71 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -83.87 -1.67 54.91 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.348 -0.842 . . . . 25.0 111.229 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.9 tptt . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.157 178.722 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p . . . . . 0 C--O 1.235 0.318 0 CA-C-O 121.031 0.443 . . . . 25.0 111.119 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.63 -118.34 0.65 Allowed Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.808 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.29 126.65 13.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.618 0.367 . . . . 25.0 110.334 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.26 152.51 41.78 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.4 mt -111.06 137.31 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.253 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -141.83 118.82 11.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.593 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 63.42 41.12 7.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.826 0.85 . . . . 25.0 111.909 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.23 -8.3 0.87 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.648 1.179 . . . . 25.0 113.51 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -92.98 119.69 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -80.12 135.59 36.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.438 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.37 -158.72 8.49 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.215 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -126.58 137.54 57.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.068 -0.566 . . . . 25.0 109.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.88 137.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.586 -178.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.06 44.64 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.148 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -104.14 131.48 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.369 0.604 . . . . 25.0 110.771 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -98.91 105.31 17.44 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.026 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -122.94 167.72 13.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 69.59 5.47 5.2 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.628 0.771 . . . . 25.0 111.799 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.69 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 114.257 -1.338 . . . . 25.0 110.228 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -73.99 160.23 82.26 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 105.263 -2.125 . . . . 25.0 105.263 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -40.95 130.01 2.89 Favored 'Trans proline' 0 C--N 1.374 1.881 0 CA-C-N 122.32 1.864 . . . . 25.0 113.74 -139.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.44 139.09 20.52 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.043 -1.435 . . . . 25.0 113.3 -166.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.8 mt-10 -123.88 171.38 9.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 113.497 -1.683 . . . . 25.0 110.815 -169.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD11 HG12 ' A' ' 16' ' ' ILE . 25.7 tp -122.85 121.31 35.93 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.5 m -113.22 108.65 17.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.522 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 90.5 t90 -84.58 134.59 34.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.549 -0.75 . . . . 25.0 109.243 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.61 162.96 23.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.91 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.6 p -71.35 169.04 16.12 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -54.86 -30.34 57.54 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.61 0.596 . . . . 25.0 112.61 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.94 -31.35 11.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.551 170.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.86 18.79 11.81 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 115.641 -0.709 . . . . 25.0 113.92 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.2 p-10 -67.82 -29.68 68.9 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.73 0.412 . . . . 25.0 111.234 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -106.97 138.79 42.46 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.99 132.59 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 120.824 0.345 . . . . 25.0 111.775 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 99.5 m-70 -127.39 148.83 50.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.586 -0.734 . . . . 25.0 109.542 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.93 143.3 50.84 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.127 0.489 . . . . 25.0 111.782 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 62' ' ' LEU . 46.7 t -129.85 107.48 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 114.998 -1.001 . . . . 25.0 109.447 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.7 120.98 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.606 HD11 HD22 ' A' ' 104' ' ' LEU . 2.7 mm? -74.89 -21.22 59.35 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -171.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -68.52 -3.64 12.3 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.267 0.556 . . . . 25.0 110.52 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.22 4.49 14.53 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.881 -1.054 . . . . 25.0 110.228 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -111.76 144.91 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.652 0.781 . . . . 25.0 109.769 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -114.19 -45.34 3.06 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.587 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 24.9 mtmm -132.17 168.42 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -176.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.94 129.03 14.56 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -130.03 114.58 15.97 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -114.18 154.86 27.11 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.52 123.6 89.73 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.666 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.3 165.56 7.16 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.94 2.427 . . . . 25.0 113.156 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.64 54.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.956 -0.565 . . . . 25.0 112.161 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.5 p -97.1 -17.22 20.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.023 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -70.92 140.6 51.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.653 -0.703 . . . . 25.0 112.765 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.666 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -59.73 -24.06 63.71 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.181 174.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.76 153.99 18.01 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.31 -1.313 . . . . 25.0 113.137 -169.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm -125.37 97.86 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.935 -1.029 . . . . 25.0 108.894 169.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.68 ' SD ' ' HB3' ' A' ' 88' ' ' MET . 4.4 ttm -156.04 154.43 31.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.606 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 49.2 tp -136.93 118.9 15.29 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.183 -0.917 . . . . 25.0 108.963 176.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 14.5 mtm180 -101.12 146.97 26.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.264 0.554 . . . . 25.0 111.824 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 22.1 mt -127.0 103.48 7.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.618 -1.173 . . . . 25.0 109.494 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 88.7 mt -84.95 129.62 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.78 -0.645 . . . . 25.0 109.576 -174.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.9 162.45 31.32 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.446 -0.797 . . . . 25.0 113.522 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.236 0.355 0 CA-C-O 121.245 0.545 . . . . 25.0 111.255 178.481 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -79.76 -18.8 50.2 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.803 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.32 23.22 1.34 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.235 0.614 . . . . 25.0 111.235 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HB3' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -48.02 135.6 12.52 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -173.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -104.77 156.27 18.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.975 -1.011 . . . . 25.0 110.501 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.73 140.93 52.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 25.0 109.694 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -80.08 -172.0 3.22 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.183 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.78 -31.77 62.89 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -89.97 -22.57 21.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 16.85 12.33 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.443 -0.408 . . . . 25.0 113.387 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -86.63 149.56 24.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.34 118.09 16.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 -173.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.18 99.94 6.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.104 -0.953 . . . . 25.0 109.144 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 71' ' ' LYS . 11.9 t -99.21 128.16 32.69 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.9 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -58.05 133.79 57.9 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.788 2.325 . . . . 25.0 112.943 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 115.363 -0.835 . . . . 25.0 112.139 -171.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 6.3 m-70 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 120.639 0.257 . . . . 25.0 110.969 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.68 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 2.8 mtt -102.23 142.58 33.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.265 -175.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -133.49 126.52 31.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.386 -0.825 . . . . 25.0 109.829 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.6 m -83.39 146.23 28.57 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.841 0.353 . . . . 25.0 111.207 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -129.47 175.78 8.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.965 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -122.36 -14.92 7.77 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.623 -0.717 . . . . 25.0 110.922 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -143.38 143.83 31.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.789 0.436 . . . . 25.0 110.935 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.86 -18.38 47.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.549 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -76.98 -19.36 57.41 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.274 0.359 . . . . 25.0 111.112 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -82.3 -63.16 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.9 ptp -46.82 -39.63 12.27 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 102' ' ' MET . 92.9 m-20 -69.63 -26.92 64.65 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.475 0.484 . . . . 25.0 111.759 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -87.28 -30.84 20.58 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 123.447 0.467 . . . . 25.0 112.171 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -70.77 -54.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -52.18 -42.23 63.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.213 1.005 . . . . 25.0 112.166 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 53.1 ttm -53.98 -53.5 52.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.17 0.588 . . . . 25.0 111.603 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.97 -57.8 11.3 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.28 0.363 . . . . 25.0 110.189 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.54 -58.8 2.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.139 0.976 . . . . 25.0 111.161 176.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -50.35 -31.72 15.39 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.166 0.986 . . . . 25.0 113.534 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -82.34 -20.3 37.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.007 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.9 mt -83.06 -43.77 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.446 0.698 . . . . 25.0 111.616 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.37 -35.83 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.128 0.171 . . . . 25.0 111.089 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -63.7 -17.73 63.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.618 0.574 . . . . 25.0 111.743 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -78.14 -43.58 28.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.763 0.425 . . . . 25.0 110.906 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.46 -3.33 55.57 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.227 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.809 177.477 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 30.4 t . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.219 0.533 . . . . 25.0 112.09 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -156.12 -116.76 0.54 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 114.725 -1.125 . . . . 25.0 111.662 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.27 129.31 15.47 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 122.579 0.352 . . . . 25.0 110.519 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.72 149.96 36.48 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.74 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 64.1 mt -106.56 140.61 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -144.01 123.03 12.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 25.0 109.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 57.45 41.83 25.51 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.891 0.877 . . . . 25.0 112.061 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 70.85 -3.01 2.1 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.669 1.188 . . . . 25.0 113.027 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -92.06 122.3 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -81.14 132.27 35.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.125 -0.488 . . . . 25.0 110.212 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.97 -163.28 11.03 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.137 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -122.69 136.87 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 115.017 -0.592 . . . . 25.0 109.762 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.4 tt -100.43 140.38 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.167 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 146.2 45.54 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.016 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.32 140.23 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.571 0.7 . . . . 25.0 110.582 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.3 t-20 -110.26 99.48 8.51 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.045 -1.434 . . . . 25.0 110.612 -174.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.53 167.84 12.4 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.78 1.25 3.94 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.015 0.926 . . . . 25.0 110.541 -172.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -103.54 -172.68 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 114.635 -1.166 . . . . 25.0 110.096 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.03 161.59 77.78 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 106.214 -1.772 . . . . 25.0 106.214 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.96 129.36 4.21 Favored 'Trans proline' 0 C--N 1.372 1.802 0 CA-C-N 121.902 1.715 . . . . 25.0 113.255 -142.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.03 134.71 13.57 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.139 -1.391 . . . . 25.0 113.033 -165.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -130.89 139.63 50.13 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.941 -1.027 . . . . 25.0 112.951 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 62' ' ' LEU . 37.7 tp -95.69 109.14 21.46 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -102.76 107.07 17.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.084 -1.416 . . . . 25.0 110.54 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -84.5 136.5 33.79 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.518 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' HG13 ' A' ' 37' ' ' VAL . 82.3 mtm180 -127.88 159.91 33.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.215 174.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 86.6 p -70.85 169.14 15.29 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -28.07 61.22 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.722 0.692 . . . . 25.0 112.535 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -99.55 -29.99 12.4 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.291 -0.413 . . . . 25.0 109.985 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.42 18.64 20.73 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-N 115.584 -0.734 . . . . 25.0 113.63 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.35 -28.48 65.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.468 0.307 . . . . 25.0 110.595 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 73.6 tttt -109.98 128.19 55.24 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' A' ' 30' ' ' ARG . 45.8 t -139.25 128.38 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 116.297 -0.411 . . . . 25.0 111.486 -175.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.21 149.76 41.75 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.503 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.0 142.99 50.73 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.118 0.485 . . . . 25.0 111.506 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.7 t -132.02 106.95 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.225 -0.898 . . . . 25.0 109.955 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.43 117.25 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 104' ' ' LEU . 2.0 mm? -74.66 -18.3 60.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.68 -3.97 17.52 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.038 0.447 . . . . 25.0 110.779 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -115.1 7.89 15.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.24 -0.891 . . . . 25.0 110.139 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 32.5 mm -114.68 137.19 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.709 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -107.93 -42.04 4.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.397 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.8 mttt -132.99 170.28 15.6 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.69 126.12 10.12 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 90.9 mt-30 -127.32 117.95 23.23 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.506 0.194 . . . . 25.0 110.926 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.18 160.15 17.87 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.289 0.477 . . . . 25.0 112.289 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 57' ' ' LYS . 50.0 p -77.57 121.55 84.51 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.008 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.37 165.98 3.84 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.971 2.448 . . . . 25.0 113.344 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -10.87 60.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.704 -0.68 . . . . 25.0 112.03 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -99.34 -8.57 24.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.977 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -78.46 139.75 38.68 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.142 0.496 . . . . 25.0 112.116 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.758 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.1 mp0 -61.52 -16.69 49.91 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.977 -1.011 . . . . 25.0 111.791 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HB3' HG21 ' A' ' 51' ' ' THR . 40.2 mttm -99.39 157.29 16.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.654 -1.157 . . . . 25.0 112.977 -173.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.0 mtm -133.31 100.86 4.97 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.757 -1.11 . . . . 25.0 110.07 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.558 ' O ' ' SD ' ' A' ' 97' ' ' MET . 65.5 mtt -157.55 156.13 31.43 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.606 -1.179 . . . . 25.0 111.074 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 51.7 tp -135.6 118.57 16.34 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.166 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 88' ' ' MET . 62.9 mtt-85 -103.66 142.84 33.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.069 0.461 . . . . 25.0 111.606 -176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 66.7 mt -124.33 106.19 10.05 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.108 -178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -85.53 134.69 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.203 -173.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.7 159.94 27.28 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 115.886 -0.597 . . . . 25.0 113.878 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 C--O 1.237 0.444 0 CA-C-O 121.447 0.642 . . . . 25.0 112.105 179.234 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -80.4 -22.95 40.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.919 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.02 132.63 35.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.775 0.43 . . . . 25.0 111.357 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.9 128.03 43.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.689 -0.687 . . . . 25.0 111.391 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 36.4 ttp85 -111.98 153.15 27.23 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.927 -0.579 . . . . 25.0 109.674 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.62 140.76 51.61 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.359 -0.382 . . . . 25.0 109.98 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.25 -174.99 4.84 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.458 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.01 -31.95 69.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.22 -30.51 57.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.06 15.86 13.64 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.285 0.366 . . . . 25.0 113.358 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.8 149.39 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.441 0.296 . . . . 25.0 110.527 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.3 pm0 -76.27 109.66 10.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.332 0.587 . . . . 25.0 111.341 -174.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 99.5 t -117.38 119.6 62.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.918 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.0 127.17 41.85 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 119.365 -0.35 . . . . 25.0 110.569 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -66.0 126.5 15.96 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.937 2.425 . . . . 25.0 113.71 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 CA--C 1.551 0.996 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.581 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 93.9 m-70 . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.662 0.268 . . . . 25.0 110.675 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.548 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 65.7 ttp -99.95 142.15 31.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.178 -175.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.94 127.97 29.64 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.567 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.74 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.0 144.45 29.94 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.052 0.454 . . . . 25.0 111.464 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -128.67 173.61 10.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.612 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -122.73 -14.49 7.7 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.824 -0.626 . . . . 25.0 112.271 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -148.83 126.01 11.43 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 120.862 0.363 . . . . 25.0 110.926 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 -56.06 -21.81 24.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -72.87 -33.52 66.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.149 0.28 . . . . 25.0 111.062 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.35 -61.91 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.6 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.3 ttp -49.66 -26.52 3.76 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -84.68 -27.2 27.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.45 -30.83 42.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.462 0.305 . . . . 25.0 111.746 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.0 mm -75.32 -54.47 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -54.13 -41.75 68.73 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.781 0.832 . . . . 25.0 112.54 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.2 ttp -55.6 -54.26 46.28 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.32 0.387 . . . . 25.0 111.632 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -55.12 -58.09 9.06 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.273 0.358 . . . . 25.0 110.049 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.591 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.75 1.68 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.869 0.868 . . . . 25.0 110.863 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -52.76 -28.34 21.87 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.846 0.858 . . . . 25.0 113.077 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -86.31 -20.31 28.55 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.973 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 96.6 mt -83.69 -41.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 C-N-CA 123.4 0.68 . . . . 25.0 111.552 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.8 mt -70.24 -33.79 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.143 0.177 . . . . 25.0 110.933 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.84 -17.14 64.0 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.749 0.656 . . . . 25.0 111.587 174.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -79.93 -39.19 30.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.746 173.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 90.3 m-85 -86.78 -2.83 58.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.257 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 28.2 tptp . . . . . 0 CA--C 1.536 0.418 0 CA-C-N 115.43 -0.804 . . . . 25.0 110.066 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 84.6 p . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.02 0.438 . . . . 25.0 111.939 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -154.29 -112.44 0.46 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.066 -0.97 . . . . 25.0 111.729 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.23 127.96 10.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.641 0.376 . . . . 25.0 110.494 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.95 151.21 37.44 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.864 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 90.9 mt -109.82 141.03 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.507 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -148.67 115.42 5.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 12' ' ' VAL . 93.9 mt-10 61.87 52.34 3.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.562 0.745 . . . . 25.0 111.366 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt 55.56 3.47 0.08 Allowed 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.577 1.551 . . . . 25.0 114.258 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 10' ' ' GLU . 98.1 t -101.72 115.03 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 170.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.405 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -77.33 138.36 39.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.306 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -161.0 10.09 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.285 -0.87 . . . . 25.0 113.144 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -123.74 139.67 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 114.97 -0.615 . . . . 25.0 109.513 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 4' ' ' SER . 8.2 tt -100.86 137.07 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.409 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.24 145.81 44.04 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.382 0.426 . . . . 25.0 111.266 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.77 131.94 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.224 0.535 . . . . 25.0 110.265 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -100.69 106.15 17.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.67 -1.15 . . . . 25.0 111.19 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.73 167.77 12.57 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 72.17 2.72 4.42 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.89 0.876 . . . . 25.0 110.629 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 23' ' ' SER . 29.3 m -102.98 -172.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 114.677 -1.147 . . . . 25.0 110.336 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.3 p -73.39 159.76 84.06 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 171.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.96 129.82 2.9 Favored 'Trans proline' 0 C--N 1.374 1.882 0 CA-C-N 122.206 1.824 . . . . 25.0 113.692 -139.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.68 137.77 11.69 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.139 -1.392 . . . . 25.0 113.243 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 41' ' ' VAL . 9.4 mt-10 -124.47 172.09 9.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.566 -1.652 . . . . 25.0 111.195 -168.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.647 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.7 tp -125.76 109.98 13.2 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 172.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -110.01 110.34 21.23 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.167 -170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -85.49 134.11 34.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.478 -0.783 . . . . 25.0 109.57 170.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -128.3 156.89 42.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.776 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.4 p -68.02 168.34 12.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -56.74 -27.96 60.24 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.429 0.559 . . . . 25.0 112.359 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -99.95 -28.0 13.3 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.195 -0.457 . . . . 25.0 109.98 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.13 18.05 25.53 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.615 -0.721 . . . . 25.0 113.497 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -69.86 -29.73 67.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.594 0.358 . . . . 25.0 110.763 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 99.6 mttt -110.48 138.19 47.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.61 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.63 134.22 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-O 120.816 0.341 . . . . 25.0 111.781 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -127.75 145.99 50.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.381 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -129.32 129.19 44.52 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.03 0.443 . . . . 25.0 112.118 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.8 t -112.27 107.59 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.242 -0.89 . . . . 25.0 109.836 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.0 t -82.92 122.82 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.28 -23.45 57.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -170.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.459 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 94.8 p -67.38 -3.58 8.65 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.163 0.506 . . . . 25.0 110.922 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -114.93 4.33 14.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.889 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -113.31 141.97 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.297 -0.865 . . . . 25.0 109.587 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.25 -40.09 3.74 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.288 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 95.1 mttt -133.39 169.63 16.65 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -176.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.5 130.46 13.39 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.393 -0.821 . . . . 25.0 108.848 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -128.77 119.63 24.9 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.36 0.124 . . . . 25.0 110.865 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.0 149.69 34.98 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -67.65 120.0 70.14 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.359 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.12 164.13 5.38 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.732 2.288 . . . . 25.0 113.349 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.33 56.06 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.75 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.51 -9.91 26.25 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.606 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.42 138.19 37.53 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.883 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.2 mp0 -63.02 -15.61 57.03 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.204 -0.907 . . . . 25.0 111.938 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -97.29 153.3 18.13 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.704 -1.134 . . . . 25.0 113.203 -171.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.4 ' C ' ' HG3' ' A' ' 59' ' ' MET . 76.3 mtm -124.32 98.13 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.103 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.1 mtt -155.98 154.75 31.59 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.485 -175.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 40.8 tp -134.55 119.78 18.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.47 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -101.26 146.52 27.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.669 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -128.36 111.62 13.54 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.119 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 45' ' ' ILE . 49.6 mm -85.02 138.55 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 25.0 110.727 -174.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.12 157.25 24.04 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.183 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.451 0.643 . . . . 25.0 112.697 -178.782 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.6 p -77.95 -4.33 46.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.638 0.375 . . . . 25.0 111.751 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -92.2 34.36 1.03 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.296 0.638 . . . . 25.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -46.18 127.0 8.31 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.436 1.094 . . . . 25.0 113.294 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -107.71 151.78 25.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.972 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.13 143.67 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.284 0.365 . . . . 25.0 110.413 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -82.5 -169.46 2.46 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.765 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.37 -31.71 64.07 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.77 -21.1 21.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.5 17.57 13.33 Favored Glycine 0 C--N 1.342 0.875 0 C-N-CA 121.402 -0.428 . . . . 25.0 113.435 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -87.83 145.92 25.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 81' ' ' VAL . 29.2 tt0 -72.93 114.8 11.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 25.0 111.353 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 100.76 11.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.003 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.0 t -93.44 127.85 44.77 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.566 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -64.58 129.25 23.17 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.91 2.407 . . . . 25.0 112.236 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.347 -0.842 . . . . 25.0 112.696 -170.755 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 94.0 m-70 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 39.2 ttm -108.69 136.87 47.56 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.453 0.644 . . . . 25.0 111.944 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -117.92 165.72 13.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.187 -1.369 . . . . 25.0 108.794 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.864 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 70.1 m -117.94 145.23 44.84 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.917 0.389 . . . . 25.0 110.534 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.1 m-85 -128.71 175.56 8.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.053 -173.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.19 -13.96 7.12 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.958 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -143.28 143.54 31.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.652 0.381 . . . . 25.0 110.843 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -80.97 -18.68 46.14 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -77.93 -19.41 54.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.086 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.49 -62.13 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.75 -40.16 19.8 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.55 -25.25 63.01 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.464 0.478 . . . . 25.0 111.756 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.29 -32.94 19.42 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.536 0.522 . . . . 25.0 112.1 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.13 -53.2 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -52.78 -42.61 65.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.949 0.9 . . . . 25.0 111.963 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.2 ttp -52.14 -54.3 32.25 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.273 0.629 . . . . 25.0 111.777 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.9 m -59.96 -57.24 13.72 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 62' ' ' LEU . 95.8 mt -43.47 -58.63 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.134 0.974 . . . . 25.0 111.043 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -50.32 -32.74 17.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.069 0.948 . . . . 25.0 113.232 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -82.28 -20.33 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.185 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.618 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.0 mt -83.94 -41.29 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.332 0.653 . . . . 25.0 111.668 177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.562 HG13 HD13 ' A' ' 42' ' ' LEU . 58.4 mt -69.86 -35.6 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 120.495 0.188 . . . . 25.0 110.805 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -63.92 -18.31 64.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.773 -0.648 . . . . 25.0 111.756 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -77.3 -40.62 43.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.72 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 72.6 m-85 -86.04 -0.82 56.49 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.308 176.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 tptt . . . . . 0 CA--C 1.535 0.398 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.31 179.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.392 0 CA-C-O 120.925 0.393 . . . . 25.0 111.026 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 -113.98 0.66 Allowed Glycine 0 C--N 1.335 0.48 0 CA-C-N 115.247 -0.888 . . . . 25.0 111.959 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.99 125.33 9.44 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.694 0.398 . . . . 25.0 110.303 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.59 151.89 40.73 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.315 0.487 . . . . 25.0 112.315 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -110.27 138.19 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.305 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -140.87 116.28 10.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.841 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 62.68 42.31 8.39 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.908 0.883 . . . . 25.0 112.06 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm 70.07 -5.96 1.19 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.71 1.204 . . . . 25.0 113.928 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' HE2' ' A' ' 36' ' ' LYS . 78.6 t -95.21 116.96 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -79.22 137.86 37.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.439 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.53 -158.75 8.84 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.254 -0.885 . . . . 25.0 113.108 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -125.87 138.49 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.63 137.71 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.551 -178.118 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.46 139.71 40.78 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.368 0.417 . . . . 25.0 111.304 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 HD13 ' A' ' 27' ' ' LEU . 96.7 mt -97.55 132.71 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.031 0.443 . . . . 25.0 110.13 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -101.62 105.1 15.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.052 -0.976 . . . . 25.0 111.248 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.97 167.91 12.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.309 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.13 2.64 4.39 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 123.74 0.816 . . . . 25.0 111.65 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.91 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.031 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -73.5 165.84 49.36 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.39 129.08 3.42 Favored 'Trans proline' 0 C--N 1.376 1.998 0 CA-C-N 122.46 1.914 . . . . 25.0 113.228 -142.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.46 141.0 16.56 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.3 -1.318 . . . . 25.0 113.008 -165.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.54 172.06 10.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.767 -1.56 . . . . 25.0 111.225 -167.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD23 ' CD1' ' A' ' 62' ' ' LEU . 48.4 tp -127.19 107.73 10.27 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -107.97 109.6 21.12 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.165 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.563 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 86.4 t90 -85.85 133.5 33.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.624 171.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -126.68 157.27 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.565 -0.743 . . . . 25.0 109.73 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.6 p -67.8 169.32 9.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -57.0 -28.24 62.26 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.99 -28.74 12.92 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.963 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.22 18.25 24.73 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.618 -0.719 . . . . 25.0 113.647 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' A' ' 31' ' ' SER . 12.8 p-10 -70.61 -30.91 67.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.536 0.334 . . . . 25.0 110.615 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.6 mttp -105.22 137.67 42.63 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.51 134.05 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-O 120.786 0.327 . . . . 25.0 111.76 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -128.75 146.45 50.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.651 -0.704 . . . . 25.0 109.566 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.01 127.29 41.32 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.892 0.377 . . . . 25.0 111.834 -175.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.6 t -110.97 107.66 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.347 -0.842 . . . . 25.0 110.106 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.8 t -82.05 122.63 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.31 -23.27 59.04 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -171.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.9 p -66.83 -10.87 52.56 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.849 0.357 . . . . 25.0 111.364 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -115.2 13.52 16.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.699 173.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' ILE . 25.3 mm -109.6 142.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.402 -0.817 . . . . 25.0 108.801 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.54 -48.69 2.99 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.284 0.365 . . . . 25.0 111.673 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.9 mttt -131.67 170.11 15.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 122.565 0.346 . . . . 25.0 110.794 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 104' ' ' LEU . 61.7 mt -146.72 132.6 19.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -129.57 114.37 15.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.83 0.308 . . . . 25.0 111.83 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.2 156.0 26.15 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.884 HG21 ' HA ' ' A' ' 58' ' ' MET . 10.4 t -71.22 123.78 89.91 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 123.242 0.617 . . . . 25.0 111.693 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 42.3 Cg_exo -59.22 164.63 10.24 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.728 2.285 . . . . 25.0 113.066 174.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.98 58.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.998 -0.546 . . . . 25.0 112.032 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -94.52 -17.41 22.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.092 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 44.5 t -72.15 140.27 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.64 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.656 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.16 -16.99 64.11 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.012 -0.995 . . . . 25.0 111.87 176.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -95.46 156.56 16.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.904 -172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.884 ' HA ' HG21 ' A' ' 51' ' ' THR . 71.7 mtm -128.33 98.18 4.98 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.059 -0.973 . . . . 25.0 109.046 169.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.544 ' H ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -156.54 155.21 31.54 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.524 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.76 118.43 14.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.047 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -104.21 142.46 34.48 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.291 0.567 . . . . 25.0 111.798 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 27' ' ' LEU . 13.7 mt -121.12 105.73 10.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 45' ' ' ILE . 81.6 mt -86.15 135.97 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.891 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.52 165.59 26.16 Favored Glycine 0 C--N 1.336 0.535 0 CA-C-N 115.728 -0.669 . . . . 25.0 113.746 -173.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.235 0.33 0 C-N-CA 122.92 0.488 . . . . 25.0 110.915 178.737 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -75.46 -7.23 53.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.811 0.339 . . . . 25.0 111.705 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.57 36.1 1.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.713 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -45.39 122.24 3.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.086 0.955 . . . . 25.0 112.854 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -103.1 154.11 19.62 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.853 -1.067 . . . . 25.0 109.905 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.74 146.73 50.11 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.272 0.357 . . . . 25.0 110.11 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -88.22 -168.56 2.25 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.782 -0.645 . . . . 25.0 111.784 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.2 -31.72 65.74 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -91.28 -22.13 20.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.61 25.0 7.11 Favored Glycine 0 C--N 1.34 0.767 0 C-N-CA 121.525 -0.369 . . . . 25.0 113.3 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -93.35 145.65 24.31 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.6 tt0 -72.49 112.25 8.38 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.051 0.453 . . . . 25.0 111.356 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.48 101.15 12.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.107 -0.952 . . . . 25.0 109.306 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.6 t -91.59 127.93 48.5 Favored Pre-proline 0 CA--C 1.551 1.01 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.524 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.69 133.69 46.64 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.089 2.526 . . . . 25.0 113.504 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.552 1.049 0 CA-C-N 114.607 -1.179 . . . . 25.0 111.507 -177.502 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 20.9 m-70 . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 120.68 0.276 . . . . 25.0 111.14 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.5 mtt -99.9 141.13 33.12 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.965 0.412 . . . . 25.0 111.275 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' TRP . 67.5 m-85 -132.83 127.23 34.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.4 -0.818 . . . . 25.0 109.702 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 75.8 m -83.5 145.01 29.16 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.858 0.361 . . . . 25.0 111.244 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -128.66 175.9 8.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.856 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -123.33 -14.2 7.48 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.619 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -143.54 143.63 31.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.789 0.436 . . . . 25.0 110.944 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.9 mmt180 -79.39 -18.35 52.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.592 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.79 -21.54 54.99 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.227 0.329 . . . . 25.0 111.153 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.99 -62.5 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.01 -39.93 13.56 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 102' ' ' MET . 87.6 m-20 -71.46 -24.85 62.08 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.562 0.539 . . . . 25.0 111.753 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.17 -33.87 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.793 0.437 . . . . 25.0 112.028 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.0 mm -68.33 -54.43 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 104' ' ' LEU . 87.9 tttt -53.55 -41.35 66.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.129 0.972 . . . . 25.0 112.289 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 54.4 ttm -54.41 -51.77 63.85 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.49 0.494 . . . . 25.0 111.52 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.9 m -60.48 -58.57 7.93 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 175.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 75.3 mt -43.77 -59.33 2.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.065 0.946 . . . . 25.0 110.969 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -49.21 -32.88 11.3 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.97 -20.33 33.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.038 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.84 -43.32 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.263 0.625 . . . . 25.0 111.604 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.2 mt -70.34 -36.45 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.108 0.163 . . . . 25.0 110.964 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.9 p -63.44 -17.49 62.74 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.684 0.615 . . . . 25.0 112.132 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -78.62 -43.66 25.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.335 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.42 -1.03 39.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.383 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 6.2 mmtp . . . . . 0 CA--C 1.537 0.449 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.289 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.916 0.388 . . . . 25.0 111.727 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -164.05 -119.34 0.48 Allowed Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.958 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.72 127.18 15.96 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.583 0.353 . . . . 25.0 110.634 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -142.88 153.63 43.33 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 13' ' ' SER . 84.2 mt -111.85 139.2 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 115.884 -0.598 . . . . 25.0 109.402 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -144.72 122.4 11.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 62.9 38.63 11.18 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.73 0.812 . . . . 25.0 112.122 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 68.72 -5.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.588 1.155 . . . . 25.0 113.444 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.592 HG11 ' HD2' ' A' ' 36' ' ' LYS . 72.2 t -93.63 118.75 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 173.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -79.87 136.88 36.78 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.184 -176.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.71 -157.2 7.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.166 -0.925 . . . . 25.0 113.277 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 5' ' ' GLY . 84.2 mt -126.84 137.15 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.913 -0.643 . . . . 25.0 109.64 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.75 133.93 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.512 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 139.08 41.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.905 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.33 130.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 122.118 0.961 . . . . 25.0 111.302 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.88 105.93 17.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 112.923 -1.944 . . . . 25.0 112.089 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -126.47 168.23 14.52 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.564 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 73.57 0.97 3.81 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.164 0.986 . . . . 25.0 110.743 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.35 -171.44 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 114.717 -1.128 . . . . 25.0 110.136 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -72.8 162.65 73.31 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 172.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.27 128.77 3.22 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 121.933 1.726 . . . . 25.0 113.194 -139.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.42 135.14 18.15 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.093 -1.412 . . . . 25.0 113.029 -166.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.2 mt-10 -121.44 171.66 8.62 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.411 -1.722 . . . . 25.0 110.97 -169.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.3 tp -126.3 111.16 14.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 174.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -108.12 111.15 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.323 -171.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -85.4 140.04 31.07 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.43 169.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.5 mtm180 -133.68 159.61 40.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.951 -1.022 . . . . 25.0 109.27 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 89.6 p -77.9 165.09 24.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.16 -0.448 . . . . 25.0 109.794 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.8 m -54.92 -31.85 60.59 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -97.07 -29.57 13.55 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.212 -0.449 . . . . 25.0 109.912 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.3 17.92 18.5 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.636 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.7 p-10 -69.47 -24.97 63.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.69 0.396 . . . . 25.0 111.497 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.592 ' HD2' HG11 ' A' ' 12' ' ' VAL . 16.7 mttp -116.51 138.79 51.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.944 -0.571 . . . . 25.0 109.802 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.21 125.92 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 CA-C-N 116.453 -0.339 . . . . 25.0 111.081 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -120.31 147.36 45.11 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.719 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.55 130.47 45.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.986 0.422 . . . . 25.0 112.042 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.5 t -114.44 107.54 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.329 -0.851 . . . . 25.0 110.035 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.1 t -81.22 121.56 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.78 -23.12 55.89 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -171.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -67.71 -1.47 5.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.135 0.493 . . . . 25.0 111.005 174.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -115.01 0.1 13.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.144 -0.935 . . . . 25.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.5 mm -108.42 141.46 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.763 0.825 . . . . 25.0 109.841 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -107.83 -51.1 2.95 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.485 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.87 170.24 15.15 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.801 0.44 . . . . 25.0 110.519 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.96 133.99 20.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -131.19 121.41 24.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.484 0.183 . . . . 25.0 111.184 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.57 153.33 30.29 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -67.95 121.71 80.9 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.956 -0.566 . . . . 25.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.33 162.62 5.68 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.8 2.334 . . . . 25.0 113.247 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.57 -8.99 58.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.804 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -93.52 -17.11 23.76 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.863 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -74.06 136.84 43.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.713 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -60.09 -25.0 65.08 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.746 -1.116 . . . . 25.0 111.937 175.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -85.47 152.77 22.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.248 -1.342 . . . . 25.0 113.268 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -124.64 97.93 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.909 -1.041 . . . . 25.0 108.97 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.522 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 89.3 mtp -155.84 153.97 30.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.484 -175.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 6.6 tp -133.72 119.78 19.75 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.285 -0.87 . . . . 25.0 109.284 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -100.63 145.83 27.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.169 0.509 . . . . 25.0 111.715 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.4 mm? -125.97 102.5 7.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.939 -1.028 . . . . 25.0 109.847 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 45' ' ' ILE . 34.9 mt -85.3 133.19 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.781 -175.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.0 168.8 29.01 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.732 -0.667 . . . . 25.0 113.998 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.004 -0.598 . . . . 25.0 110.857 177.749 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.17 -14.65 60.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.857 0.361 . . . . 25.0 111.672 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -96.7 40.49 1.13 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.776 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -44.64 118.34 1.55 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.469 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 35.0 mtp-105 -102.9 152.11 21.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.717 -1.129 . . . . 25.0 110.262 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -126.37 144.12 50.93 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.129 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -84.71 -169.03 2.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.911 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.81 -31.55 64.81 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.98 -23.94 21.39 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 18.42 10.36 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.517 -0.373 . . . . 25.0 113.335 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -89.04 148.47 23.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.478 0.311 . . . . 25.0 110.234 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -72.25 116.03 12.2 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.472 . . . . 25.0 111.624 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 60.9 t -118.65 100.74 10.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.05 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.4 t -91.24 128.28 47.88 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.31 -172.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.88 132.74 46.62 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 123.062 2.508 . . . . 25.0 113.209 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 CA--C 1.55 0.968 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.455 -175.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 98.0 m-70 . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.776 0.322 . . . . 25.0 110.476 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.5 mtp -105.89 135.94 46.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.371 0.605 . . . . 25.0 111.321 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -115.73 165.63 12.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.497 -1.229 . . . . 25.0 108.977 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 145.45 45.13 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.722 0.296 . . . . 25.0 110.459 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.2 m-85 -129.11 175.7 8.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.793 -0.639 . . . . 25.0 112.126 -172.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -123.27 -15.75 7.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.046 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.77 143.68 32.3 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.788 0.435 . . . . 25.0 110.91 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -18.24 50.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.54 -19.21 58.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.276 0.36 . . . . 25.0 111.132 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.03 -62.88 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.5 ptp -47.04 -39.3 12.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' MET . 96.0 m-20 -70.46 -26.36 63.6 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.443 0.464 . . . . 25.0 111.744 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.08 -31.05 20.68 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 25.0 112.123 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.81 -53.59 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 172.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.0 tttt -51.64 -44.28 62.91 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.073 0.949 . . . . 25.0 111.906 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 48.7 ttm -53.47 -52.42 59.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.234 0.614 . . . . 25.0 111.534 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.26 -59.58 5.24 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.35 0.406 . . . . 25.0 110.085 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 62' ' ' LEU . 80.5 mt -43.86 -57.54 3.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.357 1.063 . . . . 25.0 111.218 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -50.98 -32.98 22.78 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.329 1.052 . . . . 25.0 113.362 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -81.2 -19.98 42.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.125 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.679 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.9 mt -81.91 -42.72 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 123.366 0.666 . . . . 25.0 111.703 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -72.24 -35.96 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 122.099 0.159 . . . . 25.0 111.138 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.576 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 85.6 p -62.71 -17.06 60.08 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.608 0.567 . . . . 25.0 111.875 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.75 -42.31 24.83 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.596 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -81.73 0.16 40.25 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.705 -0.68 . . . . 25.0 111.43 175.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.2 mmtp . . . . . 0 CA--C 1.535 0.369 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.278 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.352 0 CA-C-O 120.882 0.373 . . . . 25.0 111.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -115.36 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.284 -0.871 . . . . 25.0 112.016 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.71 127.53 13.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.629 0.372 . . . . 25.0 110.621 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.54 152.74 41.82 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.79 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -111.54 139.25 36.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.688 -0.687 . . . . 25.0 109.217 176.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -142.18 115.93 9.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.692 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 60.94 46.24 8.7 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.929 0.871 . . . . 25.0 111.728 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 68.22 -5.42 0.9 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.638 173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.441 HG11 ' HD2' ' A' ' 36' ' ' LYS . 42.0 t -95.47 119.7 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HA ' HG12 ' A' ' 8' ' ' ILE . 12.4 t -80.81 136.56 36.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.433 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.51 -159.76 9.08 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.086 -0.961 . . . . 25.0 113.106 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.66 137.76 56.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.1 tt -100.68 137.45 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.543 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.38 141.88 41.74 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.464 0.477 . . . . 25.0 111.271 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.11 132.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.111 0.482 . . . . 25.0 110.319 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.64 107.94 19.34 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.043 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.16 167.69 12.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.15 4.35 4.8 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.659 0.784 . . . . 25.0 111.832 -172.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -101.81 -172.34 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 114.305 -1.316 . . . . 25.0 110.211 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.53 158.51 86.33 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 105.358 -2.09 . . . . 25.0 105.358 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -40.39 130.15 2.44 Favored 'Trans proline' 0 C--N 1.374 1.889 0 CA-C-N 122.064 1.773 . . . . 25.0 113.981 -139.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.56 137.71 8.72 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.96 -1.473 . . . . 25.0 113.36 -168.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG2' HG22 ' A' ' 41' ' ' VAL . 15.8 mt-10 -123.35 172.08 8.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 113.508 -1.678 . . . . 25.0 111.14 -168.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 35.6 tp -128.7 106.12 8.73 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -106.57 112.09 24.93 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.26 -171.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -87.52 131.69 34.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.487 -0.778 . . . . 25.0 109.524 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 37' ' ' VAL . 89.3 mtm180 -126.6 156.72 40.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.484 -0.78 . . . . 25.0 109.645 174.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 90.6 p -66.77 169.29 8.17 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 119.378 -0.344 . . . . 25.0 110.232 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -29.69 59.59 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.8 -31.04 11.72 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.164 -0.471 . . . . 25.0 109.923 170.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.92 18.28 12.72 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.703 -0.681 . . . . 25.0 113.834 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.9 p-10 -70.09 -31.28 68.78 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.531 0.333 . . . . 25.0 110.838 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 62.4 mttp -104.65 137.54 42.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.522 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -145.32 135.27 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 N-CA-C 111.977 0.362 . . . . 25.0 111.977 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -130.24 146.33 51.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.392 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.04 127.97 42.66 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.784 0.326 . . . . 25.0 111.811 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.2 t -112.13 107.4 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.124 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -81.89 121.13 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.765 HD11 HD22 ' A' ' 104' ' ' LEU . 3.4 mm? -75.37 -20.59 58.89 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -171.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.2 -3.5 13.9 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.225 0.536 . . . . 25.0 110.561 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -115.53 2.32 13.8 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.878 -1.056 . . . . 25.0 110.376 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -109.42 142.43 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.645 0.778 . . . . 25.0 109.699 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -110.19 -46.25 3.47 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.022 -0.536 . . . . 25.0 111.699 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.1 mttt -133.21 174.34 10.49 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.958 0.409 . . . . 25.0 111.866 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.53 129.74 12.77 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -125.78 116.51 21.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.479 0.18 . . . . 25.0 110.79 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.19 150.77 29.04 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -69.76 121.58 83.05 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 123.024 0.53 . . . . 25.0 111.279 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.51 162.63 6.01 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.821 2.348 . . . . 25.0 113.294 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.731 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.03 -9.67 58.71 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.925 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p -95.6 -18.06 20.87 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.196 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.57 139.29 49.36 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.305 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.694 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -63.16 -15.74 57.82 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.015 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -98.15 153.64 18.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.161 -172.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.9 mtt -125.92 98.64 5.6 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.13 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 61.1 mtt -156.03 157.03 35.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.365 -174.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HB3' ' HE1' ' A' ' 91' ' ' PHE . 13.8 tp -136.68 118.39 15.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.339 -0.846 . . . . 25.0 108.986 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -101.32 145.2 29.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.116 0.484 . . . . 25.0 111.789 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.3 mm? -128.07 106.26 8.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.994 -1.003 . . . . 25.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 47' ' ' LYS . 82.2 mt -86.77 138.08 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -175.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 165.2 32.82 Favored Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.035 -0.529 . . . . 25.0 113.52 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.236 0.372 0 CA-C-O 121.598 0.713 . . . . 25.0 112.536 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -83.66 -15.82 47.44 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -84.11 35.01 0.52 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.506 0.722 . . . . 25.0 111.248 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -45.76 125.52 6.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.043 0.937 . . . . 25.0 113.272 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -98.49 150.31 21.8 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.518 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.72 143.2 51.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.104 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -85.05 -168.95 2.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.652 -0.703 . . . . 25.0 111.754 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.86 -31.76 65.13 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.95 -19.62 22.24 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.141 0.423 . . . . 25.0 112.141 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.24 18.89 12.35 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.427 -0.416 . . . . 25.0 113.384 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.56 145.92 26.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 81' ' ' VAL . 47.4 tt0 -74.6 113.8 12.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.186 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.51 101.03 11.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.213 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 84.7 t -94.14 127.66 43.95 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.848 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -63.55 131.53 32.01 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.914 2.41 . . . . 25.0 112.347 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.67 -170.716 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.3 m-70 . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 120.764 0.316 . . . . 25.0 110.688 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 66.2 ttp -102.08 140.31 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.087 -0.506 . . . . 25.0 110.933 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 59' ' ' MET . 90.9 m-85 -131.68 130.4 41.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.802 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.79 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 40.0 m -84.18 143.74 29.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.102 0.477 . . . . 25.0 111.301 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 23.7 m-85 -127.4 175.58 8.1 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.241 -0.89 . . . . 25.0 111.547 -173.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -123.82 -17.64 6.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.163 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.39 128.63 16.75 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.678 0.275 . . . . 25.0 110.839 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.731 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.1 ptm180 -61.4 -18.32 58.25 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -74.9 -27.07 60.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.623 0.369 . . . . 25.0 111.452 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -82.22 -63.06 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 14.3 ptp -47.23 -29.49 2.42 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.328 1.051 . . . . 25.0 113.542 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -78.84 -35.2 44.38 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.097 0.248 . . . . 25.0 111.111 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.29 -32.14 58.6 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.568 0.543 . . . . 25.0 112.216 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.91 -54.0 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 104' ' ' LEU . 88.1 tttt -51.52 -43.09 62.18 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.887 0.875 . . . . 25.0 112.051 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.49 -50.74 69.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.177 0.591 . . . . 25.0 111.544 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -62.16 -57.67 10.64 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.277 0.361 . . . . 25.0 110.119 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.765 HD22 HD11 ' A' ' 42' ' ' LEU . 75.9 mt -43.49 -59.39 2.17 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.947 0.899 . . . . 25.0 110.797 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.1 -30.68 11.57 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.23 1.012 . . . . 25.0 113.508 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.11 -20.67 28.34 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.2 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 97.0 mt -82.29 -42.27 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.288 0.635 . . . . 25.0 111.657 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -69.16 -35.9 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 117.802 0.274 . . . . 25.0 110.769 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.5 p -63.93 -16.84 62.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.759 0.662 . . . . 25.0 111.533 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -78.61 -40.64 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.256 -0.429 . . . . 25.0 110.638 172.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -86.64 -3.23 59.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.321 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 55.9 tptt . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.934 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.855 0.36 . . . . 25.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -113.44 0.35 Allowed Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.415 -0.811 . . . . 25.0 111.956 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.1 128.35 12.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.614 0.366 . . . . 25.0 110.468 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.75 153.11 41.34 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -112.19 140.58 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.355 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -143.43 120.85 11.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.717 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 61.68 40.52 13.13 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.785 0.834 . . . . 25.0 112.086 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm 69.24 -3.98 1.41 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.59 1.156 . . . . 25.0 113.645 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.617 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.9 t -96.99 119.51 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -81.63 140.92 34.12 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.518 -175.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -157.2 -156.19 7.8 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.96 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.8 mt -126.55 139.34 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.037 -0.582 . . . . 25.0 109.66 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.66 136.84 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.392 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.596 0.56 . . . . 25.0 111.006 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.14 140.98 17.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.99 0.9 . . . . 25.0 110.6 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.2 t-20 -109.66 100.09 9.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.166 -1.833 . . . . 25.0 110.76 -173.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.41 167.54 12.68 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 72.45 2.26 4.27 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.984 0.913 . . . . 25.0 110.589 -172.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.64 -173.25 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.666 -1.152 . . . . 25.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.63 160.32 81.29 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 170.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.04 130.05 4.39 Favored 'Trans proline' 0 C--N 1.376 2.008 0 CA-C-N 122.305 1.859 . . . . 25.0 113.549 -140.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -47.19 131.98 12.7 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 114.09 -1.414 . . . . 25.0 112.967 -167.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 26.3 pt-20 -128.35 140.58 51.78 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.025 -0.989 . . . . 25.0 113.172 -173.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 45.7 tp -96.82 104.95 17.0 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -176.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.8 m -104.18 109.45 21.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.22 -1.355 . . . . 25.0 111.294 -169.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 87.9 t90 -84.95 135.77 33.9 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.432 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 mtp180 -128.27 151.08 49.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 25.0 109.807 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.671 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.32 159.17 33.62 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.94 -0.573 . . . . 25.0 109.461 173.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.66 -20.56 5.49 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -101.14 -31.31 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.383 0.427 . . . . 25.0 110.783 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 17.27 31.34 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.57 -0.741 . . . . 25.0 113.077 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -76.07 -28.89 57.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 59.6 mttp -105.3 139.09 40.46 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.458 173.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.08 131.29 5.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-O 120.902 0.382 . . . . 25.0 111.816 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.612 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.1 m-70 -123.62 145.44 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.42 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 128.52 43.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 95.0 t -114.08 107.54 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.562 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -79.52 117.98 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 104' ' ' LEU . 2.3 mm? -75.86 -17.56 59.76 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -171.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -69.37 -3.99 16.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.152 0.501 . . . . 25.0 110.438 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.6 -1.56 12.71 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.728 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.0 mm -104.13 147.83 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.574 0.75 . . . . 25.0 109.962 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.95 -47.37 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.46 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 60.0 mttp -131.22 168.05 18.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.57 129.22 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.245 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.838 ' HG3' HH21 ' A' ' 61' ' ' ARG . 91.5 mm-40 -127.29 114.85 18.15 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -175.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.05 150.49 31.94 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 p -67.73 120.3 72.53 Favored Pre-proline 0 N--CA 1.477 0.906 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.183 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.67 159.84 6.2 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.868 2.379 . . . . 25.0 113.141 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.59 -4.71 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.032 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -100.24 -17.87 17.13 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.04 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -69.58 140.29 53.77 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.253 0.621 . . . . 25.0 112.66 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -64.38 -14.77 58.34 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.173 -0.922 . . . . 25.0 112.154 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.9 150.03 20.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.673 -1.149 . . . . 25.0 112.902 -171.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.5 mmm -122.01 98.31 5.88 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.101 168.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 64.5 mtp -157.21 156.39 32.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.337 -175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.06 118.39 14.63 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.351 -0.841 . . . . 25.0 108.982 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.838 HH21 ' HG3' ' A' ' 49' ' ' GLN . 58.8 ttp180 -101.53 142.98 32.08 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.031 0.443 . . . . 25.0 111.609 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -124.0 108.63 12.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.158 -0.928 . . . . 25.0 110.094 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 61.7 mt -89.1 133.43 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.804 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.76 164.96 30.5 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.89 -0.595 . . . . 25.0 113.641 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.466 0.363 0 C-N-CA 122.971 0.508 . . . . 25.0 111.312 178.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.5 p -76.9 -10.8 59.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.835 0.35 . . . . 25.0 111.604 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -94.5 37.67 1.12 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.688 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.04 121.15 2.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.096 0.959 . . . . 25.0 112.744 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -100.88 151.74 21.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.635 -1.166 . . . . 25.0 109.897 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.87 142.62 51.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.299 0.374 . . . . 25.0 110.301 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -84.35 -169.42 2.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.931 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.27 -31.5 63.67 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.46 -20.81 23.44 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.003 0.372 . . . . 25.0 112.003 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.05 19.35 12.87 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.61 -0.328 . . . . 25.0 113.055 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -90.77 147.21 23.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 122.608 0.363 . . . . 25.0 110.173 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.0 tt0 -72.11 114.55 10.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.105 0.479 . . . . 25.0 111.636 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.29 101.21 11.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.176 -0.92 . . . . 25.0 109.253 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.1 t -91.63 129.08 43.9 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 115.469 -0.787 . . . . 25.0 111.592 -172.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_exo -59.59 134.3 57.09 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.163 2.575 . . . . 25.0 113.357 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.553 1.07 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.727 -175.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m-70 . . . . . 0 N--CA 1.471 0.58 0 CA-C-O 120.665 0.269 . . . . 25.0 110.555 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.89 139.1 37.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.898 0.38 . . . . 25.0 111.376 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -130.65 129.6 42.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.757 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -84.41 144.7 28.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.96 0.41 . . . . 25.0 111.234 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -128.13 176.23 7.81 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.413 -0.812 . . . . 25.0 111.741 -173.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -122.31 -17.65 7.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.963 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -141.49 143.5 33.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.955 0.407 . . . . 25.0 111.13 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 1.026 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 ttt180 -75.21 -28.07 59.83 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.439 -0.801 . . . . 25.0 112.092 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -71.05 -22.03 62.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.391 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.0 t -80.58 -62.68 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptp -46.11 -40.91 11.63 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.781 0.66 . . . . 25.0 112.781 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -69.53 -31.28 69.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.53 0.519 . . . . 25.0 111.779 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.43 -33.18 28.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mm -69.3 -52.63 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 172.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -53.96 -43.11 69.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.787 0.835 . . . . 25.0 111.827 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 ttp -53.34 -51.87 61.04 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.15 0.58 . . . . 25.0 111.497 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.3 m -59.88 -59.87 4.74 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.395 0.434 . . . . 25.0 109.959 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.1 -59.47 2.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.311 1.045 . . . . 25.0 111.066 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -49.26 -33.92 13.99 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.115 0.966 . . . . 25.0 113.421 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -81.6 -19.86 41.0 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.182 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 95.8 mt -85.12 -42.53 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.638 0.775 . . . . 25.0 112.068 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.24 -50.37 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 111.884 0.328 . . . . 25.0 111.884 -173.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.5 p -65.46 -16.11 63.32 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.57 -43.22 94.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 120.994 0.426 . . . . 25.0 110.808 169.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -76.95 -11.17 59.77 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.046 -0.979 . . . . 25.0 112.271 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.2 tptp . . . . . 0 N--CA 1.472 0.657 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.17 176.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.7 p . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.985 0.422 . . . . 25.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.66 -117.47 0.66 Allowed Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.12 -0.946 . . . . 25.0 112.07 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.35 125.95 11.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.722 0.409 . . . . 25.0 110.246 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.83 154.6 44.33 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -176.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 83.8 mt -112.51 137.87 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.329 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -143.71 122.69 12.8 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.708 -0.678 . . . . 25.0 109.512 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 62.49 39.01 12.2 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.735 0.814 . . . . 25.0 112.023 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 69.49 -6.18 1.03 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.636 1.174 . . . . 25.0 113.291 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.74 121.81 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 t -81.71 141.28 33.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.545 -175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.37 -157.09 8.28 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.311 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.76 140.02 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -0.61 . . . . 25.0 109.635 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.501 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.51 138.36 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.671 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.21 43.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.359 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.2 mt -104.37 134.07 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.114 0.483 . . . . 25.0 109.898 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -104.94 106.29 16.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.001 -0.999 . . . . 25.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -121.07 167.95 12.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.426 174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 71.07 3.09 4.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.822 0.849 . . . . 25.0 111.754 -171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.6 -172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.332 -1.303 . . . . 25.0 109.808 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -73.19 163.92 64.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.027 -1.842 . . . . 25.0 106.027 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.45 129.5 3.52 Favored 'Trans proline' 0 C--N 1.373 1.865 0 CA-C-N 122.098 1.785 . . . . 25.0 113.426 -142.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.86 141.09 13.92 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.219 -1.355 . . . . 25.0 113.188 -165.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -125.27 172.42 9.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.81 -1.541 . . . . 25.0 111.386 -166.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.642 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -129.08 108.22 10.21 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 173.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -107.21 111.66 24.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.252 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -86.6 137.96 32.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.671 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 73.5 mtp180 -128.09 154.97 45.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.244 -0.889 . . . . 25.0 109.899 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.655 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.0 p -72.49 159.78 33.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.85 -20.79 6.37 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.705 1.002 . . . . 25.0 113.705 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -101.28 -31.59 10.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.351 0.407 . . . . 25.0 110.286 171.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 17.69 28.84 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 115.45 -0.796 . . . . 25.0 113.319 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.44 -30.18 61.79 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 122.79 0.436 . . . . 25.0 110.622 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.655 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.4 mttp -103.76 137.69 41.43 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.292 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.17 135.92 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 120.864 0.364 . . . . 25.0 111.807 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.53 145.47 51.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.602 -0.727 . . . . 25.0 109.488 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.36 128.89 43.99 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.001 0.429 . . . . 25.0 111.994 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.7 t -112.17 108.26 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 115.247 -0.888 . . . . 25.0 110.06 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.4 t -81.69 123.1 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -75.24 -21.86 58.3 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -171.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.99 -9.68 47.5 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.877 0.37 . . . . 25.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -115.23 14.09 16.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.592 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.4 mm -111.29 142.23 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.17 175.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -109.49 -52.93 2.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.657 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -131.57 174.5 10.04 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 122.577 0.351 . . . . 25.0 110.864 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.22 132.95 14.93 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -129.7 114.58 16.16 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.949 0.352 . . . . 25.0 111.949 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -116.04 154.25 30.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.23 122.86 88.54 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.71 166.36 8.37 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.884 2.389 . . . . 25.0 113.216 173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.79 -10.2 59.29 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.205 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.4 -8.63 29.02 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.814 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -77.97 142.03 38.58 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 121.464 0.65 . . . . 25.0 112.733 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.659 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 7.4 mp0 -60.52 -23.66 64.74 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.434 -1.257 . . . . 25.0 112.285 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.6 154.51 17.18 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.338 -1.301 . . . . 25.0 113.178 -169.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.9 mtm -126.04 97.58 5.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.035 -0.984 . . . . 25.0 108.789 168.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -156.24 157.46 35.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.614 -173.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 43.0 tp -138.19 118.54 13.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.891 175.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -99.96 144.75 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.059 0.457 . . . . 25.0 110.683 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -123.82 102.32 7.74 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.186 -0.915 . . . . 25.0 109.705 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 45' ' ' ILE . 97.4 mt -85.14 131.33 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 115.126 -0.943 . . . . 25.0 109.543 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.01 163.7 26.96 Favored Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.617 -0.72 . . . . 25.0 114.12 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.236 0.369 0 CA-C-N 115.16 -0.52 . . . . 25.0 111.14 176.849 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.9 p -79.02 0.53 27.36 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.559 0.344 . . . . 25.0 111.657 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.43 29.9 1.21 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.135 0.574 . . . . 25.0 111.173 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -46.73 119.05 2.27 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.065 0.946 . . . . 25.0 112.869 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -103.48 155.26 18.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.093 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.07 144.33 51.05 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.748 0.309 . . . . 25.0 110.203 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.74 -168.91 2.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.815 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.89 -31.53 64.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.01 -20.19 24.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.032 0.382 . . . . 25.0 112.032 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.74 19.52 17.4 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 123.284 0.365 . . . . 25.0 113.022 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -90.26 146.53 24.16 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.725 0.41 . . . . 25.0 110.083 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.5 tt0 -72.4 115.13 11.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.045 0.45 . . . . 25.0 111.656 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.05 101.09 11.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.31 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 79' ' ' GLU . 83.4 t -93.45 129.33 39.1 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.743 -172.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -67.63 143.29 61.69 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.888 2.392 . . . . 25.0 112.669 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.55 0.948 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.948 -175.227 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.572 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 92.9 m-70 . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.469 0.176 . . . . 25.0 111.197 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.6 mtp -96.66 149.7 21.51 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.786 0.326 . . . . 25.0 111.086 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 59' ' ' MET . 93.1 m-85 -140.44 126.35 19.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.455 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.765 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.61 144.26 29.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.908 0.385 . . . . 25.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE2' HG12 ' A' ' 96' ' ' VAL . 22.7 m-85 -128.36 176.06 8.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.931 -172.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.0 -15.46 7.33 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.68 -0.691 . . . . 25.0 110.91 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -143.41 143.92 31.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.854 0.462 . . . . 25.0 110.938 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.446 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.48 -21.19 42.25 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 p -76.62 -22.77 53.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.149 0.18 . . . . 25.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 91' ' ' PHE . 62.7 t -74.94 -62.82 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 174.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -47.86 -38.83 17.03 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.118 0.567 . . . . 25.0 112.271 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.73 -20.77 61.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.76 -30.91 21.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.533 0.333 . . . . 25.0 111.627 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.5 mm -76.08 -55.5 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -51.54 -43.87 62.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.255 1.022 . . . . 25.0 112.578 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 ttp -54.77 -56.1 22.97 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.342 0.401 . . . . 25.0 111.475 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -55.47 -58.18 8.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.33 0.394 . . . . 25.0 110.054 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.62 1.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.71 0.804 . . . . 25.0 110.668 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -52.02 -29.23 20.05 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.968 0.907 . . . . 25.0 113.326 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.32 -20.12 28.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.882 0.473 . . . . 25.0 111.028 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.45 -42.55 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.42 0.688 . . . . 25.0 111.558 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.489 HD11 HD12 ' A' ' 42' ' ' LEU . 59.1 mt -71.39 -35.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.142 0.177 . . . . 25.0 111.12 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.23 -17.4 58.22 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.634 0.584 . . . . 25.0 111.666 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -80.18 -42.53 23.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.551 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -81.68 0.14 40.11 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.613 -0.721 . . . . 25.0 111.34 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.3 tttm . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 115.487 -0.779 . . . . 25.0 110.215 179.691 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 42.8 t . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.48 -112.09 0.32 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.721 -1.127 . . . . 25.0 111.69 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.79 128.02 9.82 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.805 0.442 . . . . 25.0 110.339 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -145.91 154.79 42.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 98.3 mt -111.7 140.81 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.556 -0.747 . . . . 25.0 109.299 175.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CD2' ' CD2' ' A' ' 38' ' ' HIS . 80.1 t80 -143.43 121.59 12.2 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 61.74 40.55 12.91 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.784 0.833 . . . . 25.0 111.971 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 69.84 -5.15 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.547 1.139 . . . . 25.0 113.488 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.6 t -97.1 122.79 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.486 ' HA ' HG12 ' A' ' 8' ' ' ILE . 43.3 t -83.08 141.48 31.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.571 -174.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.11 -155.89 7.75 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.01 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.04 140.88 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.085 -0.558 . . . . 25.0 109.526 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.89 137.01 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.574 -178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.45 146.03 43.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.226 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -106.49 130.9 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.103 0.478 . . . . 25.0 110.658 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.49 108.08 20.68 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.9 -1.045 . . . . 25.0 111.122 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -121.83 168.39 11.91 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 71.09 3.85 4.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.706 0.802 . . . . 25.0 111.69 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -101.46 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 114.28 -1.327 . . . . 25.0 110.117 176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.1 p -74.04 160.91 80.61 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 171.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.78 130.17 2.76 Favored 'Trans proline' 0 C--N 1.373 1.841 0 CA-C-N 122.288 1.853 . . . . 25.0 113.884 -139.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.38 140.52 10.14 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.935 -1.484 . . . . 25.0 113.293 -167.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.02 171.08 10.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 113.734 -1.575 . . . . 25.0 111.199 -168.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.656 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 50.7 tp -127.73 109.09 11.31 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 174.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -108.58 111.95 24.05 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.264 -171.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -86.55 136.54 33.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.533 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 54.9 mtp180 -128.22 151.2 49.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 25.0 109.711 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.8 p -69.96 158.9 34.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.394 172.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -53.87 -20.12 5.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -101.15 -31.3 11.11 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.379 0.425 . . . . 25.0 110.386 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 17.23 33.11 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.97 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -76.2 -28.48 57.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.593 0.357 . . . . 25.0 110.098 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.72 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.0 mttp -106.11 137.57 43.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.65 -0.704 . . . . 25.0 109.405 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.02 134.32 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 120.82 0.343 . . . . 25.0 111.725 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 9' ' ' PHE . 95.2 m-70 -129.17 146.2 51.15 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.663 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -129.22 129.82 45.5 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.982 0.42 . . . . 25.0 112.007 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.1 t -113.77 107.62 23.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.254 -0.884 . . . . 25.0 109.958 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.5 122.14 36.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -76.82 -20.12 56.74 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 -171.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.78 -3.55 16.05 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.198 0.523 . . . . 25.0 110.477 174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -115.28 5.43 14.69 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.203 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -112.76 137.91 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.527 -0.76 . . . . 25.0 109.698 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.88 -43.2 4.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.399 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 64.1 mttp -133.37 169.14 17.37 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.96 133.43 15.53 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -134.89 125.11 26.1 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.635 0.198 . . . . 25.0 110.787 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.5 144.1 45.39 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.6 p -62.63 125.32 85.91 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 123.677 0.791 . . . . 25.0 111.674 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 31.2 Cg_exo -60.17 166.23 9.4 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.774 2.316 . . . . 25.0 113.344 176.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -71.8 -13.68 61.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.381 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -97.42 -8.37 29.57 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.502 0.502 . . . . 25.0 111.057 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 29.7 t -77.7 137.47 38.52 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 112.716 0.635 . . . . 25.0 112.716 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.4 mp0 -58.92 -22.13 59.14 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.665 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -92.65 141.01 28.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.422 -1.263 . . . . 25.0 112.044 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -117.36 96.78 5.57 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 167.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 61.5 mtm -154.48 153.95 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.332 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.91 120.16 23.2 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.981 -1.009 . . . . 25.0 109.356 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -100.79 145.51 28.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.1 0.476 . . . . 25.0 111.902 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -127.88 109.73 11.89 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.975 -1.012 . . . . 25.0 110.171 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -88.76 132.88 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.087 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.89 162.19 33.89 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 116.075 -0.511 . . . . 25.0 113.823 -175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.401 0.619 . . . . 25.0 112.241 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -76.47 -6.06 50.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.54 0.336 . . . . 25.0 111.627 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -91.98 33.54 1.05 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.541 0.686 . . . . 25.0 110.8 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -46.02 128.35 9.15 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.84 1.256 . . . . 25.0 113.118 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 mtp-105 -110.27 145.13 37.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.64 138.56 53.92 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -78.99 -171.32 2.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.18 -32.05 63.98 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.728 1.011 . . . . 25.0 113.728 -174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.87 -12.81 37.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.91 20.58 25.76 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 116.235 -0.439 . . . . 25.0 112.912 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.42 148.05 24.4 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.521 0.328 . . . . 25.0 110.309 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG2' HG23 ' A' ' 81' ' ' VAL . 44.6 tt0 -71.64 120.51 17.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.329 -175.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.64 99.6 5.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.348 -0.842 . . . . 25.0 108.783 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.4 t -100.01 126.04 37.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.385 -171.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.1 124.63 12.42 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.986 2.457 . . . . 25.0 112.683 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 CA--C 1.552 1.029 0 CA-C-N 115.076 -0.966 . . . . 25.0 112.43 -174.017 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 110.235 -0.283 . . . . 25.0 110.235 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.9 mtm -102.64 139.75 37.81 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.342 0.592 . . . . 25.0 111.402 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.7 m-85 -119.65 164.35 16.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.48 -1.236 . . . . 25.0 108.481 173.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.781 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 42.5 m -121.37 139.66 53.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.203 0.525 . . . . 25.0 111.182 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.87 176.55 6.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.942 -1.026 . . . . 25.0 111.942 -170.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.84 -18.18 6.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.998 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -140.45 143.79 35.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.671 0.388 . . . . 25.0 111.096 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.535 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 52.0 ptt85 -79.21 -18.41 53.0 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.3 p -75.65 -27.12 58.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.093 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.38 -60.55 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.6 ptp -47.79 -40.72 21.71 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.75 -20.85 61.82 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.306 0.379 . . . . 25.0 111.868 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.74 -28.49 23.02 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.516 0.327 . . . . 25.0 111.591 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -79.58 -54.41 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -50.52 -41.91 54.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.193 0.997 . . . . 25.0 112.412 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.09 -59.08 5.62 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.344 0.403 . . . . 25.0 111.212 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.4 m -51.19 -58.94 4.83 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 110.035 -0.357 . . . . 25.0 110.035 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.2 -59.24 2.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.917 0.887 . . . . 25.0 110.698 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -55.15 -31.3 61.22 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -78.47 -21.12 49.49 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.518 0.327 . . . . 25.0 111.335 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 94.4 mt -85.32 -42.61 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.37 0.668 . . . . 25.0 111.706 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.41 -35.45 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.226 0.21 . . . . 25.0 111.252 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.6 p -62.4 -19.32 63.31 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.672 0.607 . . . . 25.0 111.818 175.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.41 -43.36 32.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.077 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 87.9 m-85 -82.03 -1.97 50.13 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.273 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 24.1 tptp . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.252 -0.885 . . . . 25.0 110.103 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 78.9 p . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.988 0.423 . . . . 25.0 111.216 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -155.28 -116.4 0.55 Allowed Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.865 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.18 126.38 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.642 0.377 . . . . 25.0 110.337 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 152.59 42.22 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.78 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 72.3 mt -110.02 140.21 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.972 -0.558 . . . . 25.0 109.853 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.545 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 27.3 t80 -145.65 126.78 14.7 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.745 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 6.5 pt-20 59.02 38.16 24.23 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.812 0.845 . . . . 25.0 111.981 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 68.66 -2.31 1.7 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.542 1.137 . . . . 25.0 113.043 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HD2' ' A' ' 36' ' ' LYS . 58.5 t -92.48 121.31 42.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 172.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -80.8 137.31 36.22 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.165 -0.47 . . . . 25.0 110.599 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.31 -158.61 8.75 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.492 -0.776 . . . . 25.0 113.268 -174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.5 mt -126.83 138.46 54.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.778 -0.711 . . . . 25.0 109.627 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -103.3 137.72 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.437 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.15 146.31 44.84 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.426 0.454 . . . . 25.0 111.273 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG22 ' HG3' ' A' ' 20' ' ' GLU . 87.2 mt -104.01 131.15 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.313 0.578 . . . . 25.0 110.64 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -98.45 106.51 18.8 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.572 -1.195 . . . . 25.0 111.158 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.5 mt-10 -122.97 167.83 13.09 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 173.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 72.67 2.82 4.49 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.816 0.846 . . . . 25.0 110.592 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -102.97 -172.54 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.665 -1.152 . . . . 25.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.2 p -73.69 158.89 85.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.47 130.55 2.51 Favored 'Trans proline' 0 C--N 1.375 1.929 0 CA-C-N 122.11 1.789 . . . . 25.0 113.913 -139.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.21 138.24 12.74 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.24 -166.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 4.7 mt-10 -124.45 171.84 9.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.494 -1.685 . . . . 25.0 110.763 -169.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 62' ' ' LEU . 1.7 tp -123.25 121.94 37.14 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.45 -0.945 . . . . 25.0 108.45 166.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.19 108.21 16.66 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.365 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HD1' HG13 ' A' ' 16' ' ' ILE . 91.0 t90 -84.83 135.03 34.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.612 171.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -128.12 150.04 50.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.437 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.78 164.41 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.136 -0.459 . . . . 25.0 110.028 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.1 m -53.43 -26.8 21.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -97.98 -30.78 12.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.223 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.42 32.11 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 116.106 -0.497 . . . . 25.0 113.924 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -79.09 -27.83 43.01 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 173.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 31.2 mttp -101.39 131.58 47.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.08 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 134.11 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-O 120.858 0.361 . . . . 25.0 111.535 -175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -129.0 148.37 50.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.641 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.58 140.09 51.96 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.131 0.491 . . . . 25.0 111.603 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 62' ' ' LEU . 46.7 t -127.3 107.54 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 114.905 -1.043 . . . . 25.0 109.618 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 81.0 t -82.68 120.87 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.74 -20.85 59.66 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -171.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -68.29 -5.18 17.18 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.196 0.522 . . . . 25.0 110.442 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.38 7.33 15.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.891 -1.05 . . . . 25.0 110.179 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 22.7 mm -113.5 142.61 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.874 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -112.24 -45.8 3.25 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.558 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 22.8 mttp -132.64 169.94 15.92 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.772 HD11 ' OE1' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -149.52 131.88 15.61 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 178.029 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -131.66 115.29 15.86 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -115.89 153.63 31.19 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -175.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' HG2' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.84 126.9 92.21 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 123.505 0.722 . . . . 25.0 111.836 -177.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 31.3 Cg_exo -60.48 165.55 11.08 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.815 2.343 . . . . 25.0 113.132 173.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -7.81 55.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.202 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -96.47 -16.35 21.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.01 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 28.7 t -71.6 141.02 50.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.906 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.08 -19.9 66.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.742 -1.117 . . . . 25.0 111.674 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.699 ' CB ' HG21 ' A' ' 51' ' ' THR . 68.6 mttt -93.81 154.67 17.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.653 -1.158 . . . . 25.0 112.937 -172.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 90' ' ' SER . 58.4 mtm -127.2 98.43 5.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.962 -1.017 . . . . 25.0 108.859 169.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.86 ' HG2' HG23 ' A' ' 51' ' ' THR . 25.5 ptm -155.36 156.71 35.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.127 -0.488 . . . . 25.0 112.167 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' MET . 53.2 tp -139.89 118.82 12.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.202 -0.908 . . . . 25.0 109.126 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -100.22 146.37 26.96 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.896 0.379 . . . . 25.0 111.011 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -128.21 104.86 7.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.363 -0.835 . . . . 25.0 109.883 179.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 25.4 mt -84.98 135.28 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.078 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.63 163.7 28.67 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.739 -0.664 . . . . 25.0 113.789 -174.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.514 0.673 . . . . 25.0 112.06 178.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 120.662 0.268 . . . . 25.0 111.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -71.45 -13.04 61.7 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.064 -0.517 . . . . 25.0 111.092 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.12 141.6 28.64 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.581 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -99.74 131.95 45.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.803 -1.09 . . . . 25.0 111.935 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 77.9 ttt-85 -123.19 137.39 54.9 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 169.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -119.71 135.06 54.99 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.978 ' CB ' ' OE2' ' A' ' 76' ' ' GLU . 36.2 m-20 -78.93 -179.49 6.65 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.706 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.05 -32.47 61.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.978 ' OE2' ' CB ' ' A' ' 74' ' ' ASP . 1.3 pm0 -73.92 -21.85 59.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.6 14.86 42.34 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 116.161 -0.472 . . . . 25.0 112.781 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 63.8 t30 -80.91 150.31 29.08 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.637 0.375 . . . . 25.0 110.696 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -76.49 105.66 7.67 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.192 0.52 . . . . 25.0 110.227 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 80' ' ' VAL . 8.3 p -116.08 98.91 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.109 -0.951 . . . . 25.0 109.034 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 94.4 t -88.44 121.38 70.25 Favored Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 115.373 -0.831 . . . . 25.0 110.713 -172.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.99 130.71 31.85 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.079 2.519 . . . . 25.0 114.211 -171.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 114.439 -1.255 . . . . 25.0 112.738 -176.161 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 97.3 m-70 . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 120.436 0.16 . . . . 25.0 111.262 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 67.6 mtm -96.34 149.24 21.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.671 0.272 . . . . 25.0 110.791 -177.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 59' ' ' MET . 92.2 m-85 -140.61 125.45 18.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.629 175.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.78 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.54 144.35 29.56 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.951 0.405 . . . . 25.0 111.138 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -127.77 176.45 7.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.811 -173.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.41 -18.89 7.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.858 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -140.65 143.48 35.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.728 0.411 . . . . 25.0 111.075 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -79.08 -18.15 53.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.38 -21.58 55.87 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.221 0.325 . . . . 25.0 111.348 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.03 -62.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.0 ptp -46.39 -39.94 11.23 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.57 -24.63 61.95 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.498 0.499 . . . . 25.0 111.611 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -87.05 -32.29 20.07 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.454 0.471 . . . . 25.0 111.901 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.56 -54.04 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.18 -43.09 61.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.278 1.031 . . . . 25.0 112.145 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.1 ttp -54.63 -52.29 62.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.222 0.609 . . . . 25.0 111.697 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -60.13 -58.26 9.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 42' ' ' LEU . 77.3 mt -43.67 -59.47 2.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.11 0.964 . . . . 25.0 110.884 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.772 ' OE1' HD11 ' A' ' 48' ' ' LEU . 58.6 tp60 -50.15 -32.16 15.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.158 0.983 . . . . 25.0 113.44 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.93 -20.42 32.99 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.252 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.59 -41.12 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.355 0.662 . . . . 25.0 111.561 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.26 -35.52 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 120.521 0.2 . . . . 25.0 110.878 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.457 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.6 p -64.88 -16.96 63.87 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.565 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.76 -39.76 35.21 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.616 173.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -87.55 -0.82 57.39 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.228 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 29.2 tptp . . . . . 0 CA--C 1.535 0.394 0 CA-C-N 115.423 -0.808 . . . . 25.0 110.008 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.992 0.425 . . . . 25.0 111.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -159.48 -117.93 0.49 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.225 -0.898 . . . . 25.0 112.192 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 127.62 13.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.657 0.383 . . . . 25.0 110.297 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.77 42.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.793 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 68.5 mt -113.83 139.32 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.444 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -143.79 116.88 8.9 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.81 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 63.17 42.59 7.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.908 0.883 . . . . 25.0 112.037 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.67 -8.49 0.91 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.77 1.228 . . . . 25.0 113.762 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 94.4 t -93.07 118.64 39.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 173.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -81.19 138.97 35.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.406 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.06 -158.91 8.98 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.299 -0.864 . . . . 25.0 113.31 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 5' ' ' GLY . 91.7 mt -126.18 137.03 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 114.927 -0.636 . . . . 25.0 109.559 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.96 138.82 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.156 -0.475 . . . . 25.0 110.734 -177.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.19 145.89 44.23 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.098 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.43 HG22 ' HG3' ' A' ' 20' ' ' GLU . 85.5 mt -103.18 131.9 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.264 0.554 . . . . 25.0 110.236 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . 2.0 t-20 -100.23 107.15 18.91 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.737 -1.119 . . . . 25.0 111.375 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.4 mt-10 -123.98 167.57 13.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.107 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 72.86 2.72 4.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.855 0.862 . . . . 25.0 110.56 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.99 -172.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 114.591 -1.186 . . . . 25.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -73.6 160.68 81.66 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 172.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -40.95 130.02 2.89 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 122.262 1.844 . . . . 25.0 113.555 -140.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.21 17.61 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.121 -1.399 . . . . 25.0 113.14 -165.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -123.93 172.03 9.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 113.537 -1.665 . . . . 25.0 111.116 -168.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -126.97 109.64 12.14 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -109.63 114.43 28.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.135 -170.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 83.4 t90 -92.43 127.58 37.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.425 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 94.3 mtt-85 -111.36 162.7 14.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.151 -0.931 . . . . 25.0 110.993 170.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.515 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.7 p -76.4 172.57 12.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.373 -0.83 . . . . 25.0 108.995 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.6 m -56.98 -28.74 62.63 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 118.817 0.735 . . . . 25.0 112.433 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.2 -27.07 13.7 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.027 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 30' ' ' ARG . . . 96.14 18.39 31.63 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.608 -0.724 . . . . 25.0 113.505 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -66.72 -27.64 67.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.642 0.377 . . . . 25.0 110.515 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' NZ ' HG21 ' A' ' 12' ' ' VAL . 90.3 mttt -109.86 135.41 50.8 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.196 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 45.6 t -144.64 131.51 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 120.665 0.269 . . . . 25.0 111.455 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.465 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -125.71 148.41 49.05 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.491 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.35 127.65 41.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.907 0.384 . . . . 25.0 111.844 -175.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.9 t -112.24 107.16 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.13 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -81.74 120.9 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -73.76 -22.99 59.67 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -171.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -68.3 -2.26 7.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.072 0.463 . . . . 25.0 111.052 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.24 3.83 14.36 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.198 -0.91 . . . . 25.0 110.127 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -112.22 141.94 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.772 -176.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -109.97 -47.62 3.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.535 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.7 mttt -133.16 175.0 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 120.774 0.321 . . . . 25.0 111.79 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.03 131.01 14.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -129.13 113.89 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.668 0.27 . . . . 25.0 111.625 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.42 153.35 28.76 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.835 HG23 ' HG2' ' A' ' 59' ' ' MET . 1.1 p -70.82 122.12 85.87 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.621 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.93 163.21 11.83 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.657 2.238 . . . . 25.0 112.853 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 -9.0 58.12 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.682 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -92.95 -18.3 22.91 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.031 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -74.34 138.75 43.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.201 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.724 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -64.01 -17.96 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.085 -0.961 . . . . 25.0 111.95 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.6 ' CB ' HG21 ' A' ' 51' ' ' THR . 63.6 mttm -94.43 156.14 16.62 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.542 -1.208 . . . . 25.0 113.119 -171.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.1 mtm -127.04 99.05 5.55 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.821 -1.082 . . . . 25.0 109.238 170.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.835 ' HG2' HG23 ' A' ' 51' ' ' THR . 3.4 ptm -155.69 155.02 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.605 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 16.5 tp -136.58 118.56 15.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.031 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -101.68 147.32 26.59 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.222 0.534 . . . . 25.0 111.927 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 104' ' ' LEU . 3.6 mm? -128.4 104.01 7.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.919 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' ILE . 81.7 mt -85.61 137.77 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.158 -0.473 . . . . 25.0 109.933 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.27 165.65 30.29 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.788 -0.642 . . . . 25.0 113.771 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.236 0.384 0 C-N-CA 123.2 0.6 . . . . 25.0 111.728 178.828 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -76.41 -3.99 39.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.6 0.36 . . . . 25.0 111.471 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -89.71 27.56 1.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.961 0.504 . . . . 25.0 111.098 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.9 125.76 7.87 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -107.04 151.44 25.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.731 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.07 140.01 52.59 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.6 p30 -80.92 -170.74 2.83 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.256 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -55.8 -32.19 63.3 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.13 -18.4 23.59 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -176.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.08 22.88 8.46 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.543 -0.36 . . . . 25.0 113.124 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -89.43 148.12 23.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.6 tt0 -73.97 117.58 15.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.381 -174.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -124.44 99.85 6.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.212 -0.904 . . . . 25.0 109.187 173.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 79' ' ' GLU . 50.4 t -98.47 124.88 45.01 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.696 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.64 135.06 43.59 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.758 2.306 . . . . 25.0 113.278 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 CA--C 1.538 0.5 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.756 -175.47 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.5 m-70 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.844 0.354 . . . . 25.0 110.602 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 74.1 mtm -106.95 136.51 46.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.003 -174.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.0 m-85 -126.4 130.16 50.19 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.309 -0.86 . . . . 25.0 109.976 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.793 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 39.9 m -83.89 142.7 30.39 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.988 0.423 . . . . 25.0 111.297 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HE2' HG12 ' A' ' 96' ' ' VAL . 11.2 m-85 -125.76 176.45 6.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.412 -0.813 . . . . 25.0 111.751 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -122.42 -17.57 7.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.874 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.31 143.45 32.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.592 0.357 . . . . 25.0 111.039 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 5.4 mpt_? -79.0 -18.16 54.13 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.75 -0.659 . . . . 25.0 112.41 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.15 -19.29 54.32 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.337 0.398 . . . . 25.0 111.244 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.414 HG12 ' HE2' ' A' ' 91' ' ' PHE . 74.5 t -82.72 -59.84 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.424 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 25.4 ptp -48.46 -40.71 27.28 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -69.8 -21.22 63.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.426 0.454 . . . . 25.0 111.935 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.94 -29.37 22.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.842 0.457 . . . . 25.0 111.713 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -78.83 -54.49 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.15 -42.11 63.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 25.0 112.891 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 ttp -55.91 -56.85 15.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.834 0.453 . . . . 25.0 111.599 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -54.81 -58.48 7.41 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.451 0.469 . . . . 25.0 110.124 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 42' ' ' LEU . 86.4 mt -43.7 -59.5 2.18 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.872 0.869 . . . . 25.0 110.935 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -52.1 -30.76 27.63 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.71 -19.72 34.74 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.58 -43.57 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.379 0.672 . . . . 25.0 111.675 175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 42' ' ' LEU . 58.6 mt -70.25 -38.97 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.097 0.159 . . . . 25.0 111.242 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -60.48 -17.14 43.04 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.656 0.597 . . . . 25.0 112.071 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -79.51 -43.66 22.7 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.577 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -80.47 -3.33 49.54 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.416 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.2 tttp . . . . . 0 CA--C 1.536 0.411 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.298 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 39.0 t . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.793 0.33 . . . . 25.0 111.281 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.39 -117.0 0.85 Allowed Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.025 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.55 127.49 14.51 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.635 0.374 . . . . 25.0 110.298 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.25 155.46 43.87 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 81.6 mt -112.72 139.36 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.597 -0.729 . . . . 25.0 109.231 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -142.29 120.84 12.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.053 -0.521 . . . . 25.0 109.64 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 61.72 40.8 12.68 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.743 0.817 . . . . 25.0 111.952 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 71.57 -7.0 1.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.656 1.183 . . . . 25.0 113.57 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.6 t -94.55 125.17 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.7 t -84.32 137.37 33.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.482 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.8 -158.06 8.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.072 -0.967 . . . . 25.0 112.971 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' GLY . 14.9 mt -125.4 137.58 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.233 -0.484 . . . . 25.0 109.753 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.563 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 137.85 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.725 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.64 141.01 41.19 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.497 0.498 . . . . 25.0 111.26 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.8 mt -97.05 130.26 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.168 0.509 . . . . 25.0 110.17 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.6 106.44 18.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.455 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -122.36 168.1 12.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.637 -0.711 . . . . 25.0 109.157 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 72.72 2.26 4.29 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.833 0.853 . . . . 25.0 111.658 -171.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -101.67 -171.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.202 -1.363 . . . . 25.0 109.76 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -73.24 166.51 43.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 106.128 -1.805 . . . . 25.0 106.128 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.44 129.17 3.49 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.411 1.897 . . . . 25.0 113.284 -143.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.43 17.26 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 114.367 -1.288 . . . . 25.0 113.17 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.74 172.29 8.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.599 -1.637 . . . . 25.0 111.162 -168.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 39.4 tp -127.47 109.9 12.22 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 173.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -109.01 112.03 24.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.337 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 78.1 t90 -87.76 133.78 33.8 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.331 -0.849 . . . . 25.0 109.49 170.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -127.19 159.3 34.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.493 173.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.6 p -68.14 169.01 11.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 -28.62 58.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -99.89 -30.4 12.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.448 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.07 16.81 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.701 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.62 -27.78 65.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.587 0.355 . . . . 25.0 111.499 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 0.2 OUTLIER -109.5 142.33 40.68 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 174.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.29 136.95 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.598 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.3 m-70 -133.2 145.76 50.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.36 176.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -128.96 131.06 47.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.062 0.458 . . . . 25.0 112.02 -174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 3.4 t -114.42 107.64 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.987 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.57 121.13 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.53 -20.84 59.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.488 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -69.01 -4.62 17.61 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.241 0.543 . . . . 25.0 110.416 175.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.24 6.28 14.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.834 -1.076 . . . . 25.0 110.139 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -113.56 142.63 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.665 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.95 -45.65 3.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.49 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 57.1 mttp -132.32 168.59 17.83 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 47' ' ' LYS . 4.9 mt -147.96 136.12 21.3 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -135.76 119.24 16.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.388 0.137 . . . . 25.0 111.045 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 144.39 41.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 57' ' ' LYS . 73.4 p -62.68 120.97 64.8 Favored Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 123.192 0.597 . . . . 25.0 111.514 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -54.55 163.21 3.92 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.969 2.446 . . . . 25.0 113.452 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.26 -11.27 60.83 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.8 -0.636 . . . . 25.0 112.041 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -95.66 -17.48 21.28 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.331 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -70.75 138.01 50.12 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.41 -30.79 41.98 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.378 -1.283 . . . . 25.0 112.394 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 51' ' ' THR . 57.0 mttp -90.74 145.83 24.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 113.766 -1.561 . . . . 25.0 112.928 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' HG3' ' A' ' 59' ' ' MET . 91.5 mmm -117.59 97.54 5.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.375 -0.83 . . . . 25.0 109.172 167.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 38.8 mtt -154.8 150.85 27.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.88 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 tp -127.97 119.37 25.36 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.944 -1.025 . . . . 25.0 109.203 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -101.38 147.24 26.56 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.207 0.527 . . . . 25.0 112.21 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -128.24 106.19 8.87 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.768 -1.105 . . . . 25.0 110.026 178.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.652 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 91.3 mt -85.0 129.88 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 116.075 -0.511 . . . . 25.0 109.727 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.27 168.62 38.81 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.837 -0.619 . . . . 25.0 113.891 -174.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.2 tttp . . . . . 0 C--O 1.237 0.413 0 CA-C-O 121.541 0.686 . . . . 25.0 112.367 179.651 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 82' ' ' PRO . 99.3 mt-10 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -68.96 -18.53 64.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.884 0.373 . . . . 25.0 110.678 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 81' ' ' VAL . 99.1 mttt -97.51 129.68 44.65 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.963 172.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 81' ' ' VAL . 67.3 mttt -100.71 145.65 28.2 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.567 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 39.1 mtp-105 -110.71 154.42 23.91 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.66 143.07 51.18 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -87.47 -169.59 2.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.751 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.09 -31.59 63.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -92.08 -18.12 24.03 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.22 8.06 Favored Glycine 0 C--N 1.34 0.796 0 C-N-CA 121.492 -0.385 . . . . 25.0 113.189 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -91.03 142.35 27.86 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -72.91 100.81 3.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 111.182 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 59.4 t -106.78 99.88 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.416 173.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 70' ' ' LYS . 13.7 t -92.44 126.32 52.85 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.387 -172.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 37.7 Cg_endo -58.48 128.64 29.13 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 123.448 2.765 . . . . 25.0 114.209 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 CA--C 1.551 0.992 0 CA-C-N 114.873 -1.058 . . . . 25.0 111.589 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.512 0.196 . . . . 25.0 110.746 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 63.1 ttp -104.13 137.98 41.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.526 0.679 . . . . 25.0 111.658 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 75.8 m-85 -116.7 164.0 15.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 114.32 -1.309 . . . . 25.0 108.326 172.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.802 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 67.4 m -121.32 135.88 55.04 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.315 0.579 . . . . 25.0 111.114 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD2' ' HG3' ' A' ' 97' ' ' MET . 11.1 m-85 -121.86 176.5 5.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.886 -1.052 . . . . 25.0 111.84 -172.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.59 -19.88 7.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.898 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.586 0.355 . . . . 25.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -74.38 -19.66 60.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.432 178.066 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.6 p -73.9 -20.35 60.42 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.246 0.341 . . . . 25.0 111.224 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HE2' ' A' ' 91' ' ' PHE . 87.3 t -82.97 -57.93 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.535 ' HG3' ' CD2' ' A' ' 91' ' ' PHE . 78.8 mtm -49.56 -43.05 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -70.29 -21.35 62.96 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.82 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.1 -37.93 15.82 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.958 0.503 . . . . 25.0 112.14 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.74 -52.89 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -53.89 -42.3 68.51 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.849 0.859 . . . . 25.0 111.964 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.9 ttp -51.65 -52.2 49.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.163 0.585 . . . . 25.0 111.75 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -61.6 -57.91 10.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.72 -58.8 2.51 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.007 0.923 . . . . 25.0 110.866 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -48.79 -33.24 10.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.309 1.043 . . . . 25.0 113.326 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -83.33 -20.3 34.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.24 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.0 -41.93 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.177 0.591 . . . . 25.0 111.897 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 48' ' ' LEU . 59.2 mt -69.18 -35.73 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 117.967 0.349 . . . . 25.0 110.791 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -63.63 -18.03 63.51 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.601 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -76.87 -41.37 44.17 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.674 172.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 65.9 m-85 -86.53 1.29 52.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.391 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.997 178.543 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.815 0.341 . . . . 25.0 111.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.24 -118.64 0.63 Allowed Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.084 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.69 126.88 12.95 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.741 0.416 . . . . 25.0 110.168 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.16 151.51 40.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -110.52 138.9 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.405 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -142.29 116.77 9.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.697 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 62.94 42.19 7.8 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.888 0.875 . . . . 25.0 111.967 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt 69.28 -7.46 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.638 1.175 . . . . 25.0 113.88 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HD2' ' A' ' 36' ' ' LYS . 94.4 t -93.84 116.39 34.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 173.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.433 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -78.45 141.03 38.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.916 -0.583 . . . . 25.0 111.404 -175.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.3 -157.9 8.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.102 -0.954 . . . . 25.0 112.994 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.66 138.64 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.132 -0.534 . . . . 25.0 109.666 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.83 139.13 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.445 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -136.73 145.88 45.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.999 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.51 139.15 25.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.307 0.575 . . . . 25.0 110.058 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.5 t30 -106.57 99.38 8.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.399 -175.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 107' ' ' ILE . 71.2 mt-10 -121.83 167.25 13.23 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 176.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.86 1.61 4.08 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.0 0.92 . . . . 25.0 110.438 -170.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.48 -173.18 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 114.592 -1.185 . . . . 25.0 110.066 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.47 163.05 70.98 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 106.074 -1.824 . . . . 25.0 106.074 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -42.38 130.01 4.87 Favored 'Trans proline' 0 C--N 1.374 1.886 0 CA-C-N 122.188 1.817 . . . . 25.0 113.133 -143.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -49.09 138.07 12.53 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.346 -1.297 . . . . 25.0 112.863 -164.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -132.35 137.15 47.29 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.872 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 17' ' ' ALA . 27.5 tp -95.2 110.53 22.49 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.6 m -104.05 107.84 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 113.977 -1.465 . . . . 25.0 110.724 -171.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 83.0 t90 -84.43 134.76 34.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.779 -0.646 . . . . 25.0 109.309 171.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.99 148.72 50.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.505 -0.771 . . . . 25.0 109.639 173.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.645 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.49 158.65 33.34 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 173.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -53.16 -20.08 3.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.531 0.938 . . . . 25.0 113.531 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -101.19 -31.55 10.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.448 0.468 . . . . 25.0 110.821 171.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.98 17.18 33.22 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.605 -0.725 . . . . 25.0 113.032 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -75.78 -28.21 58.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.648 0.379 . . . . 25.0 110.051 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.7 mttp -106.49 137.21 44.89 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.342 173.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.03 132.93 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-O 120.776 0.322 . . . . 25.0 111.725 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.502 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.5 m-70 -125.92 149.38 48.76 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.647 -0.706 . . . . 25.0 109.554 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.29 142.24 50.89 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.865 0.364 . . . . 25.0 111.672 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 74.1 t -131.92 107.49 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.341 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.78 118.72 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 107' ' ' ILE . 71.3 mt -77.88 -18.07 56.61 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.8 -3.63 16.48 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.267 0.556 . . . . 25.0 110.542 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -115.27 1.95 13.91 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.921 -1.036 . . . . 25.0 110.292 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 63' ' ' ILE . 39.9 mm -105.8 142.99 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.095 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -110.79 -46.94 3.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.79 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 15.8 mttp -131.2 166.83 20.29 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -176.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.02 130.17 15.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -131.43 114.79 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 -174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.01 34.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.2 p -68.71 122.31 84.35 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.52 0.728 . . . . 25.0 111.735 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.02 162.7 8.75 Favored 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.783 2.322 . . . . 25.0 113.075 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.42 -8.53 55.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.786 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -95.82 -18.18 20.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.117 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -72.94 137.9 45.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.124 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -62.42 -18.57 62.0 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.129 -0.941 . . . . 25.0 111.946 176.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -94.48 155.73 16.8 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.581 -1.19 . . . . 25.0 112.998 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' SER . 73.3 mtm -128.18 98.39 5.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.641 -1.163 . . . . 25.0 108.914 170.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 75.4 mtm -154.19 153.83 32.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.446 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -136.39 118.4 15.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.871 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -106.13 146.58 30.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.113 0.482 . . . . 25.0 111.809 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 23.6 mt -128.01 104.81 8.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.289 -175.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 45' ' ' ILE . 71.3 mt -85.33 136.25 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.922 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.08 139.36 14.44 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.135 -0.484 . . . . 25.0 113.551 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 123.781 0.833 . . . . 25.0 112.014 179.846 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -75.28 -11.87 60.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.856 0.36 . . . . 25.0 111.602 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.05 37.98 1.27 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.856 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.2 117.85 1.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.097 0.959 . . . . 25.0 112.459 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -102.12 153.21 20.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.122 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.3 148.05 50.24 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.329 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -84.79 -174.79 5.47 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.19 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -55.74 -31.81 62.85 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.884 1.068 . . . . 25.0 113.884 -174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -91.8 -20.18 21.77 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.833 0.308 . . . . 25.0 111.833 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.95 25.33 5.94 Favored Glycine 0 C--N 1.339 0.737 0 O-C-N 123.32 0.387 . . . . 25.0 113.09 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -89.91 145.24 25.27 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.542 0.337 . . . . 25.0 110.178 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.717 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -74.0 118.22 16.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.096 0.474 . . . . 25.0 111.302 -175.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.57 100.87 7.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.071 -0.968 . . . . 25.0 109.233 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 59.6 t -94.66 126.99 45.37 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.209 -173.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.28 133.38 46.14 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.029 2.486 . . . . 25.0 113.713 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 114.553 -1.203 . . . . 25.0 111.903 -175.205 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 16.0 m-70 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.626 0.251 . . . . 25.0 110.8 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -100.38 143.19 30.85 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.956 0.408 . . . . 25.0 111.12 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.0 m-85 -136.3 127.8 28.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.311 -0.858 . . . . 25.0 109.615 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.829 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.1 m -83.89 145.66 28.48 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.844 0.354 . . . . 25.0 111.136 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.24 175.39 8.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.844 -173.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -121.53 -15.71 7.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.741 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -144.07 143.36 31.12 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.624 0.37 . . . . 25.0 111.253 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -77.94 -18.97 55.45 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.475 -0.784 . . . . 25.0 112.712 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.21 -21.22 50.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 123.182 0.301 . . . . 25.0 111.213 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.07 -62.7 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.9 ptp -47.39 -41.12 19.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.93 -23.93 63.29 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 123.35 0.406 . . . . 25.0 111.749 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.05 -31.08 20.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.028 0.531 . . . . 25.0 111.88 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mm -74.4 -55.55 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -51.72 -41.67 61.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.14 0.976 . . . . 25.0 112.515 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.2 ttp -60.65 -57.65 11.79 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.15 0.281 . . . . 25.0 111.061 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 m -50.13 -58.39 5.66 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.397 0.436 . . . . 25.0 109.855 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mp -43.98 -59.07 2.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.1 0.96 . . . . 25.0 111.062 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -56.45 -29.59 61.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.751 -0.658 . . . . 25.0 112.686 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.88 -20.61 52.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.665 0.386 . . . . 25.0 111.229 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 42' ' ' LEU . 85.6 mt -85.25 -42.72 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.558 0.743 . . . . 25.0 111.571 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.59 -33.33 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.658 0.383 . . . . 25.0 111.341 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -65.65 -17.97 64.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.749 0.655 . . . . 25.0 111.442 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -79.44 -42.96 24.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.785 0.434 . . . . 25.0 110.721 173.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.1 -5.14 57.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.162 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.536 0.436 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.998 177.568 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 53.9 p . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.908 0.385 . . . . 25.0 111.728 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.17 -113.29 0.34 Allowed Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.16 -0.927 . . . . 25.0 111.843 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.94 129.63 12.31 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 122.645 0.378 . . . . 25.0 110.43 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.06 153.63 40.94 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.0 mt -112.36 139.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.324 175.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -143.24 119.84 11.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.869 -0.605 . . . . 25.0 109.542 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 61.5 41.67 12.3 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.761 0.824 . . . . 25.0 112.04 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.17 -7.42 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.588 1.155 . . . . 25.0 113.698 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.7 t -95.4 120.14 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -81.83 139.78 34.55 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.66 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.56 -156.42 7.85 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.232 -0.895 . . . . 25.0 113.109 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.87 139.76 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.071 -0.564 . . . . 25.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.95 136.77 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.557 -178.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 146.34 45.43 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.2 -0.455 . . . . 25.0 111.093 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.3 mt -105.02 131.85 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.307 0.575 . . . . 25.0 110.552 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.5 105.07 17.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.505 -1.225 . . . . 25.0 111.196 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 52.0 mt-10 -123.1 167.73 13.29 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 173.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 61.1 m-20 73.94 1.95 4.05 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 123.882 0.873 . . . . 25.0 110.494 -172.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -103.21 -172.25 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 114.555 -1.202 . . . . 25.0 110.075 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.6 164.75 58.79 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.47 129.22 3.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 CA-C-N 122.29 1.854 . . . . 25.0 113.182 -142.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.7 21.56 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.401 -1.272 . . . . 25.0 113.092 -164.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.7 mt-10 -125.55 171.46 10.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 113.703 -1.59 . . . . 25.0 110.771 -168.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 62' ' ' LEU . 22.2 tp -123.03 122.43 38.48 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 167.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.55 108.42 16.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.671 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.423 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.4 t90 -84.75 134.33 34.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.615 -0.721 . . . . 25.0 109.433 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.515 ' NH2' ' HA3' ' A' ' 34' ' ' GLY . 56.8 mtp180 -125.22 152.08 45.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.371 -0.831 . . . . 25.0 109.643 172.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.19 161.01 30.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.8 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -51.6 -28.72 14.98 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -96.45 -27.2 15.01 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.048 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA3' ' NH2' ' A' ' 30' ' ' ARG . . . 94.09 17.2 41.3 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.804 -0.634 . . . . 25.0 113.193 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -74.32 -29.55 61.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 122.76 0.424 . . . . 25.0 110.789 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 34.9 mttp -106.44 139.02 41.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.573 -0.74 . . . . 25.0 109.309 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -148.86 129.42 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 120.805 0.335 . . . . 25.0 111.743 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.423 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 95.8 m-70 -123.4 147.57 46.98 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.778 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -129.3 142.04 50.94 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.111 0.482 . . . . 25.0 111.707 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 62' ' ' LEU . 40.0 t -129.22 107.69 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.529 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.21 121.36 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.628 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.75 -22.08 58.99 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -172.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 97.7 p -66.06 -12.16 53.53 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.859 0.361 . . . . 25.0 111.3 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.38 16.21 16.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.521 -0.763 . . . . 25.0 110.827 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 63' ' ' ILE . 45.8 mm -110.6 139.35 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.127 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -106.36 -48.44 3.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.568 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HB2' HD12 ' A' ' 63' ' ' ILE . 96.8 mttt -133.52 176.47 8.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.295 0.569 . . . . 25.0 112.047 -179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 127.08 10.44 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.768 -1.106 . . . . 25.0 108.504 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -124.3 116.48 22.7 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.507 0.194 . . . . 25.0 110.828 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.48 148.77 32.44 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.319 -0.4 . . . . 25.0 112.056 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 p -68.47 121.32 80.27 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.431 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -54.95 163.08 4.46 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.849 2.366 . . . . 25.0 113.363 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.71 60.16 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.969 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 p -95.45 -17.21 21.69 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.144 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -71.47 139.66 49.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.859 -0.61 . . . . 25.0 112.46 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.1 mp0 -57.49 -23.17 48.47 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.713 -1.131 . . . . 25.0 112.36 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -96.75 152.94 18.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.203 -1.362 . . . . 25.0 113.515 -169.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.41 ' C ' ' HG3' ' A' ' 59' ' ' MET . 75.7 mtm -124.53 98.31 5.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.02 169.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 68.8 mtp -155.47 157.14 36.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.337 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.12 118.47 14.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.309 -0.859 . . . . 25.0 108.996 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -101.45 146.36 27.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.165 0.507 . . . . 25.0 111.882 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD13 HG11 ' A' ' 40' ' ' VAL . 91.6 mt -128.2 107.92 10.19 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.031 -0.986 . . . . 25.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' ILE . 97.8 mt -90.55 140.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.211 -0.45 . . . . 25.0 109.799 -174.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.74 157.24 22.85 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 116.153 -0.476 . . . . 25.0 114.104 -173.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 tttp . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.325 0.583 . . . . 25.0 112.047 178.31 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -82.29 2.46 31.97 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.869 0.366 . . . . 25.0 111.607 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.94 33.19 2.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.858 -0.61 . . . . 25.0 110.931 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -46.0 116.62 1.27 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.799 0.84 . . . . 25.0 112.037 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -102.08 154.98 18.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.698 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.14 143.84 50.98 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.036 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -85.02 -169.14 2.51 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.792 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.84 -31.43 64.76 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.471 0.915 . . . . 25.0 113.471 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.05 -22.28 20.83 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.35 22.69 8.04 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 121.473 -0.394 . . . . 25.0 113.2 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -92.02 146.0 24.09 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.1 pm0 -72.82 113.26 9.65 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.43 . . . . 25.0 111.322 -175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.44 100.79 11.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.246 -0.888 . . . . 25.0 109.078 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 58.2 t -94.35 122.48 61.17 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 115.376 -0.829 . . . . 25.0 111.469 -172.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 50.8 Cg_exo -64.63 124.34 13.09 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.041 2.494 . . . . 25.0 112.926 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.545 0.777 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.54 -175.136 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.3 m-70 . . . . . 0 N--CA 1.468 0.457 0 CA-C-O 120.854 0.359 . . . . 25.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.1 mtm -101.68 142.38 33.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.948 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -134.61 129.32 34.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.78 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.88 143.65 29.74 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.93 0.395 . . . . 25.0 111.297 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 13.6 m-85 -127.57 175.73 8.03 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.659 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.86 -17.06 6.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.814 -0.63 . . . . 25.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.43 130.22 16.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.469 0.308 . . . . 25.0 110.571 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.678 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.0 mpt_? -62.26 -18.0 60.0 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.4 p -76.71 -25.04 53.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.474 0.31 . . . . 25.0 111.524 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.57 -62.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.678 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 13.3 ptp -47.19 -30.07 2.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.205 1.002 . . . . 25.0 113.524 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.53 -35.23 46.51 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.034 0.209 . . . . 25.0 111.216 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.5 -31.01 57.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.007 0.523 . . . . 25.0 112.177 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -72.45 -53.4 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 172.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.84 -42.53 62.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.997 0.919 . . . . 25.0 112.111 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 ttp -55.14 -52.17 64.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.305 0.642 . . . . 25.0 111.639 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.5 m -60.65 -57.15 13.94 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.242 0.339 . . . . 25.0 110.157 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' LEU . 86.7 mt -43.78 -58.22 2.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.031 0.932 . . . . 25.0 110.914 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -50.7 -32.67 20.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.389 1.076 . . . . 25.0 113.288 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.65 -20.29 36.57 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -83.45 -44.98 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.5 0.72 . . . . 25.0 111.967 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.18 -40.16 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 117.812 0.278 . . . . 25.0 111.203 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.7 p -70.36 -14.69 62.68 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -69.0 -32.53 72.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 166.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 66.0 m-85 -91.81 -4.05 55.37 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.052 175.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 92.0 mttt . . . . . 0 N--CA 1.478 0.937 0 C-N-CA 122.842 0.457 . . . . 25.0 110.563 173.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.9 0.381 . . . . 25.0 111.702 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -152.25 -117.46 0.73 Allowed Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.194 -0.912 . . . . 25.0 111.766 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.56 127.57 14.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.579 0.352 . . . . 25.0 110.315 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.9 155.11 43.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.813 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 67.1 mt -113.7 140.04 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -143.84 116.91 8.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 63.55 42.88 6.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.895 0.878 . . . . 25.0 112.019 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 70.84 -8.42 0.95 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.691 1.196 . . . . 25.0 113.747 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HE2' ' A' ' 36' ' ' LYS . 72.1 t -93.6 121.99 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -82.1 138.12 34.86 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.326 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -153.14 -157.93 8.29 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.179 -0.919 . . . . 25.0 113.261 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 5' ' ' GLY . 97.4 mt -127.03 136.59 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 114.949 -0.625 . . . . 25.0 109.457 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.3 tt -100.68 136.02 34.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.636 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.23 138.57 40.27 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.554 0.534 . . . . 25.0 111.248 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 20' ' ' GLU . 94.5 mt -96.2 131.65 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.08 0.466 . . . . 25.0 110.246 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -98.98 104.79 16.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.877 -1.056 . . . . 25.0 111.195 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' OE2' HD11 ' A' ' 107' ' ' ILE . 66.5 mt-10 -121.91 167.91 12.51 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 173.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 73.42 2.14 4.2 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.907 0.883 . . . . 25.0 110.513 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.0 -172.43 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.8 164.35 61.8 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 105.295 -2.113 . . . . 25.0 105.295 171.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -41.58 129.65 3.71 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 122.623 1.972 . . . . 25.0 113.512 -141.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.94 139.58 22.05 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.288 -1.324 . . . . 25.0 113.069 -165.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -124.92 172.1 9.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.683 -1.598 . . . . 25.0 111.244 -167.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.667 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 40.6 tp -127.4 109.29 11.62 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.288 -1.005 . . . . 25.0 108.288 174.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 97.0 m -107.02 110.99 23.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.313 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.1 t90 -85.45 137.35 32.97 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.709 -0.678 . . . . 25.0 109.318 168.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm180 -130.95 160.01 35.78 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.956 -1.02 . . . . 25.0 109.263 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 93.7 p -77.84 164.29 25.31 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.69 -31.75 58.39 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.505 0.558 . . . . 25.0 112.505 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.94 -31.26 12.64 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.439 171.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.58 18.16 13.51 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.472 -0.785 . . . . 25.0 113.798 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.9 p-10 -69.99 -25.11 63.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.819 0.448 . . . . 25.0 111.302 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 17.5 mttp -112.96 139.93 48.2 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.789 -0.641 . . . . 25.0 109.447 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.85 128.41 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.697 0.284 . . . . 25.0 110.977 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.6 m-70 -125.95 145.02 50.45 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.908 -0.587 . . . . 25.0 109.538 177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.3 128.57 43.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.965 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 58.7 t -112.96 107.62 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.088 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.92 120.87 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -73.53 -22.97 59.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -170.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.8 p -67.46 -2.69 6.79 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.096 0.474 . . . . 25.0 110.906 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.21 3.83 14.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.208 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 47.8 mm -111.96 143.22 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 109.784 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -112.39 -43.26 3.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.326 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.9 mttt -133.19 169.83 16.31 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.783 0.661 . . . . 25.0 112.783 -176.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.799 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.59 132.63 15.25 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.399 -0.819 . . . . 25.0 108.885 178.114 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -134.82 120.62 19.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.55 0.159 . . . . 25.0 110.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.04 147.52 37.06 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 p -63.34 122.53 76.38 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.345 0.658 . . . . 25.0 111.661 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.44 164.57 5.33 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.774 2.316 . . . . 25.0 113.355 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.627 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -74.35 -9.61 58.77 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.954 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -96.79 -9.64 28.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.72 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 137.96 37.54 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 116.025 -0.534 . . . . 25.0 112.295 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.747 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -61.25 -26.13 67.55 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.936 -1.029 . . . . 25.0 111.878 175.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -86.49 142.54 28.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.128 -1.396 . . . . 25.0 112.433 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.427 ' C ' ' HG3' ' A' ' 59' ' ' MET . 97.6 mmm -116.18 96.85 5.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.054 169.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.8 mtt -155.57 156.05 34.42 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.202 -173.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' PHE . 12.9 tp -133.13 119.83 20.45 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.959 -1.019 . . . . 25.0 109.219 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -101.31 145.01 29.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.156 0.503 . . . . 25.0 111.865 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -126.82 106.31 9.25 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.998 -1.001 . . . . 25.0 110.014 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 46.4 mt -85.83 128.76 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.028 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.02 37.72 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.738 -0.664 . . . . 25.0 113.816 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--O 1.237 0.411 0 CA-C-O 121.679 0.752 . . . . 25.0 112.802 -178.834 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 112.068 0.396 . . . . 25.0 112.068 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -81.84 -21.24 37.69 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.559 0.344 . . . . 25.0 111.748 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -84.59 129.41 34.85 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.097 0.475 . . . . 25.0 111.181 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -96.39 122.28 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.219 -0.9 . . . . 25.0 111.873 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 68.2 ttp85 -110.11 142.27 41.82 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 171.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.59 144.39 50.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.808 0.337 . . . . 25.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -82.58 -170.11 2.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.769 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -57.34 -31.5 65.77 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -89.9 -23.21 21.67 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.96 17.4 13.06 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 121.51 -0.376 . . . . 25.0 113.379 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -87.21 147.24 25.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -71.26 119.55 15.55 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.991 0.424 . . . . 25.0 111.367 -174.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 37.3 t -123.62 99.5 6.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.082 -0.963 . . . . 25.0 108.869 172.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.529 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.9 t -90.29 125.14 61.06 Favored Pre-proline 0 CA--C 1.551 1.002 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.591 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -57.76 129.98 36.28 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.077 2.518 . . . . 25.0 113.869 -172.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 CA--C 1.54 0.594 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.469 -176.081 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m-70 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.484 0.183 . . . . 25.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -101.69 140.87 35.39 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.998 0.428 . . . . 25.0 111.499 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.2 m-85 -129.56 130.22 45.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.219 -0.901 . . . . 25.0 109.412 176.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.813 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 41.6 t -88.8 140.79 29.09 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.275 0.56 . . . . 25.0 111.784 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -124.15 176.29 6.49 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.891 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -122.26 -16.33 7.44 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.964 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -141.02 143.77 34.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.692 0.397 . . . . 25.0 111.034 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.627 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -80.68 -22.31 40.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -177.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -78.15 -19.47 53.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 123.067 0.229 . . . . 25.0 111.187 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.17 -62.56 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.965 -0.754 . . . . 25.0 108.965 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -39.26 21.85 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.087 0.555 . . . . 25.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.32 -22.04 61.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.682 -0.69 . . . . 25.0 112.748 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.05 -37.9 15.91 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.838 0.455 . . . . 25.0 112.124 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.72 -54.08 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -52.71 -42.87 65.25 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.795 0.838 . . . . 25.0 111.854 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.7 ttm -52.29 -53.44 44.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.195 0.598 . . . . 25.0 111.794 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.6 m -60.15 -57.58 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.73 -58.36 2.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.097 0.959 . . . . 25.0 110.958 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.427 ' OE1' HD13 ' A' ' 48' ' ' LEU . 70.2 tp60 -50.96 -31.04 16.59 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.253 1.021 . . . . 25.0 113.315 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.77 -20.38 33.42 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.044 -0.526 . . . . 25.0 111.043 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.477 HD11 ' OE2' ' A' ' 20' ' ' GLU . 96.6 mt -82.37 -43.82 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 C-N-CA 123.403 0.681 . . . . 25.0 111.666 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.95 -35.56 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 122.247 0.219 . . . . 25.0 111.131 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -63.7 -18.82 64.39 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.611 0.57 . . . . 25.0 111.888 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -78.07 -42.02 33.54 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.725 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -81.44 -3.52 53.17 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.591 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 CA--C 1.536 0.412 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.363 179.645 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 121.073 0.463 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.05 -122.37 0.91 Allowed Glycine 0 C--N 1.333 0.362 0 CA-C-N 115.098 -0.955 . . . . 25.0 111.958 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.46 122.4 10.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.555 0.342 . . . . 25.0 110.235 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -140.0 154.33 47.1 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.76 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 75.0 mt -112.89 139.09 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.243 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -143.48 120.0 11.04 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 63.11 40.87 8.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.803 0.841 . . . . 25.0 111.969 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 69.64 -6.76 0.97 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.601 1.16 . . . . 25.0 113.828 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -93.82 122.49 45.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 173.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.8 t -82.49 136.25 34.93 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.39 -176.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.22 -159.48 9.0 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.112 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.58 138.42 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.587 . . . . 25.0 109.444 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.46 140.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.543 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.82 145.93 45.05 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.453 0.471 . . . . 25.0 111.147 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -104.88 139.98 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.327 0.585 . . . . 25.0 109.833 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 6.5 t30 -110.59 99.54 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.599 -1.182 . . . . 25.0 110.471 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.12 167.62 12.94 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.94 3.25 4.56 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.766 0.826 . . . . 25.0 111.641 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 m -102.32 -173.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.26 -1.336 . . . . 25.0 110.287 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -74.66 162.19 74.69 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 169.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -43.16 130.16 6.12 Favored 'Trans proline' 0 C--N 1.376 1.983 0 CA-C-N 122.475 1.92 . . . . 25.0 113.256 -141.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.48 138.88 9.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.075 -1.421 . . . . 25.0 112.927 -165.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.69 138.91 47.43 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -173.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 63.6 tp -96.75 104.98 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.7 m -104.04 109.51 21.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.013 -1.449 . . . . 25.0 111.199 -170.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.484 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 73.5 t90 -84.92 135.44 34.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.336 170.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HG2' HG23 ' A' ' 37' ' ' VAL . 75.7 mtp85 -126.48 163.89 22.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.021 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.7 p -72.45 169.4 16.46 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.2 m -56.77 -28.55 61.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.508 0.594 . . . . 25.0 112.437 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -100.01 -28.97 12.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.477 170.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.96 18.78 21.44 Favored Glycine 0 C--N 1.342 0.892 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.696 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.6 p-10 -68.76 -28.02 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.622 0.369 . . . . 25.0 110.651 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -110.16 141.92 42.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.409 174.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -149.31 135.5 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -175.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.484 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.9 m-70 -129.22 147.84 51.1 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.372 175.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.63 129.97 45.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 87.4 t -116.47 107.73 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.703 175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.2 122.31 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 173.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 104' ' ' LEU . 1.2 mm? -79.45 -19.27 50.28 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -70.01 -1.88 11.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.091 0.472 . . . . 25.0 110.483 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -114.81 4.87 15.04 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.167 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -112.57 139.34 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.96 -44.39 4.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.541 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 65.3 mttp -131.81 166.96 20.39 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -148.46 125.56 11.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 178.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -130.18 122.91 29.06 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.318 0.104 . . . . 25.0 111.023 -176.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.36 155.13 27.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.613 0.598 . . . . 25.0 112.613 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.756 HG21 ' HB3' ' A' ' 57' ' ' LYS . 34.0 p -65.32 119.52 60.1 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.63 0.772 . . . . 25.0 111.292 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.0 166.01 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.209 0 C-N-CA 123.143 2.562 . . . . 25.0 113.674 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.6 -4.53 40.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.867 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -102.99 -17.93 15.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.568 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 t -64.54 144.13 57.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.224 0.61 . . . . 25.0 112.436 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.3 pm0 -65.36 -24.07 67.15 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.483 173.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.756 ' HB3' HG21 ' A' ' 51' ' ' THR . 7.8 mmtp -89.88 143.41 26.82 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.005 -1.452 . . . . 25.0 112.694 -174.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.413 ' HA ' HH12 ' A' ' 94' ' ' ARG . 66.4 mtm -116.23 96.26 5.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.1 -0.954 . . . . 25.0 108.805 169.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 12.8 mtt -155.79 162.78 40.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.174 -174.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 tp -142.06 120.0 12.01 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.162 -0.927 . . . . 25.0 109.535 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -100.44 146.83 26.55 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.979 0.419 . . . . 25.0 111.366 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.678 HD11 HD13 ' A' ' 104' ' ' LEU . 3.7 mm? -127.86 104.77 8.0 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 87.5 mt -85.55 137.78 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.907 -0.588 . . . . 25.0 109.601 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.31 163.0 21.8 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.975 -0.557 . . . . 25.0 113.945 -172.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttt . . . . . 0 C--O 1.236 0.358 0 C-N-CA 123.05 0.54 . . . . 25.0 110.782 176.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -76.66 0.02 21.82 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.997 0.427 . . . . 25.0 111.638 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -109.7 35.87 3.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.632 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -45.34 121.9 3.2 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.983 0.913 . . . . 25.0 112.486 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -103.06 153.68 20.03 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.219 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -127.04 140.95 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.282 -0.417 . . . . 25.0 109.998 177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -81.61 -171.47 3.34 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.919 -0.582 . . . . 25.0 112.04 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.46 -31.94 64.47 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.464 0.912 . . . . 25.0 113.464 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -90.96 -16.87 27.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.0 0.371 . . . . 25.0 112.0 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 19.51 16.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 121.489 -0.386 . . . . 25.0 113.438 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -88.23 149.77 23.66 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.13 116.22 14.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.091 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.63 100.99 9.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.301 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -93.74 127.32 46.2 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 115.285 -0.871 . . . . 25.0 111.33 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.11 134.49 52.99 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.049 2.499 . . . . 25.0 113.589 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 CA--C 1.542 0.669 0 CA-C-N 114.854 -1.066 . . . . 25.0 111.447 -176.848 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.4 m-70 . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.463 0.173 . . . . 25.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 66.8 mtt -96.7 148.56 22.76 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.597 0.237 . . . . 25.0 110.887 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' MET . 99.0 m-85 -138.27 128.19 25.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.547 173.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 18.4 t -87.35 141.04 28.93 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.339 0.59 . . . . 25.0 111.759 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.74 176.2 7.08 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.939 -171.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -126.31 -8.49 6.4 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.801 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -143.92 143.69 31.38 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.928 0.394 . . . . 25.0 111.226 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.413 HH12 ' HA ' ' A' ' 58' ' ' MET . 32.7 mmt180 -80.46 -31.37 37.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.596 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -72.93 -19.34 61.27 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.097 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -77.35 -62.7 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.1 ptm -48.44 -39.75 23.83 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.6 -25.12 63.81 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.26 -34.47 18.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.087 0.555 . . . . 25.0 111.991 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.72 -55.76 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.32 -44.04 54.07 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.896 0.878 . . . . 25.0 112.573 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.4 -59.52 5.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 119.394 -0.336 . . . . 25.0 111.543 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.5 m -50.21 -56.51 10.77 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.458 0.474 . . . . 25.0 109.93 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.72 -57.88 2.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.875 0.87 . . . . 25.0 110.97 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -55.99 -30.7 62.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.635 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.53 -20.29 54.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.717 0.407 . . . . 25.0 111.017 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.08 -43.39 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.695 0.798 . . . . 25.0 111.585 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.426 HD12 HD21 ' A' ' 48' ' ' LEU . 85.8 mt -72.5 -34.85 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 122.488 0.315 . . . . 25.0 111.461 -175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.8 p -63.6 -18.95 64.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.68 0.612 . . . . 25.0 111.459 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -77.78 -42.62 33.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.775 172.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -81.67 -0.73 44.03 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.758 -0.655 . . . . 25.0 111.269 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.536 0.419 0 CA-C-N 115.45 -0.795 . . . . 25.0 110.325 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 25.0 111.059 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.17 -114.57 0.47 Allowed Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.403 -0.817 . . . . 25.0 111.993 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.17 126.61 11.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 122.559 0.344 . . . . 25.0 110.495 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.51 152.41 41.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 -177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 93.3 mt -110.58 137.9 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.37 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -141.39 120.86 13.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.634 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 62.15 39.18 13.1 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.716 0.806 . . . . 25.0 112.096 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.26 -5.27 1.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.653 1.181 . . . . 25.0 113.547 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.13 119.21 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -80.32 137.57 36.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.461 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.59 -158.2 8.57 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.2 -0.909 . . . . 25.0 113.094 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -125.81 138.58 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.119 -0.541 . . . . 25.0 109.643 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.629 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.9 134.4 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.605 -178.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.13 139.49 41.23 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.316 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.1 mt -99.09 134.72 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.775 0.798 . . . . 25.0 110.774 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -100.89 107.54 19.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.671 -1.604 . . . . 25.0 111.36 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.63 167.71 13.08 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 70.78 3.53 4.63 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.669 0.788 . . . . 25.0 111.842 -172.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 23' ' ' SER . 21.2 m -101.87 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.275 -1.33 . . . . 25.0 109.872 176.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.33 163.84 65.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 171.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -41.54 128.88 3.59 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 122.148 1.803 . . . . 25.0 113.272 -141.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 138.19 18.36 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 114.258 -1.337 . . . . 25.0 113.139 -165.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -122.57 171.77 8.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 113.686 -1.597 . . . . 25.0 111.16 -168.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 43.9 tp -127.36 107.68 10.19 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -108.52 112.09 24.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.654 -0.703 . . . . 25.0 111.254 -170.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.8 t90 -86.96 134.34 33.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.465 -0.789 . . . . 25.0 109.593 170.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -127.47 157.19 40.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.709 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 86.5 p -68.41 167.7 14.14 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.4 m -56.19 -28.92 59.99 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.42 -27.0 13.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.006 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 18.2 27.3 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.691 -0.686 . . . . 25.0 113.497 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 8.5 p-10 -70.2 -30.59 67.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.635 0.374 . . . . 25.0 110.746 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.8 mttp -110.13 135.33 51.1 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.617 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.34 134.27 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 120.842 0.353 . . . . 25.0 111.766 -174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.53 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 98.4 m-70 -127.83 147.24 50.43 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.555 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.39 129.22 44.45 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.868 0.366 . . . . 25.0 111.936 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 83.8 t -112.89 107.35 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.031 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.05 122.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -75.81 -24.0 55.85 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.012 1.115 . . . . 25.0 114.012 -170.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 87.6 p -66.74 -3.47 6.77 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.093 0.473 . . . . 25.0 110.919 174.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.07 4.21 14.61 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.125 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 63' ' ' ILE . 21.6 mm -111.62 141.79 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.513 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -111.84 -44.24 3.49 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.511 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.97 173.72 11.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.9 0.381 . . . . 25.0 111.822 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -150.16 127.42 11.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.466 -0.788 . . . . 25.0 108.883 178.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -124.86 117.42 24.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.325 0.107 . . . . 25.0 110.806 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -112.02 151.74 28.96 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -66.12 118.16 49.91 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.081 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.33 159.71 2.8 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.988 2.459 . . . . 25.0 113.468 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.89 -4.83 30.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.955 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.9 p -101.29 -17.47 16.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.148 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -71.06 136.74 48.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.126 0.57 . . . . 25.0 112.263 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.684 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -57.54 -28.19 63.3 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.898 -1.046 . . . . 25.0 112.278 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -83.84 153.96 23.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.783 -1.553 . . . . 25.0 113.574 -173.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.6 mtt -123.82 98.94 6.03 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.259 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 63.5 mtt -156.4 155.1 31.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.866 -0.606 . . . . 25.0 111.529 -175.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 50' ' ' ALA . 2.3 tp -135.55 119.73 17.71 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.464 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' NH2' ' SD ' ' A' ' 88' ' ' MET . 28.6 ttm180 -104.73 144.92 31.08 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.254 0.549 . . . . 25.0 112.108 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 104' ' ' LEU . 4.2 mm? -128.41 105.22 8.17 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.979 -1.01 . . . . 25.0 110.488 -177.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 45' ' ' ILE . 89.4 mt -85.2 145.14 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.49 160.71 18.99 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.751 -174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.237 0.403 0 C-N-CA 123.126 0.571 . . . . 25.0 110.926 177.178 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.6 -13.69 60.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.552 0.341 . . . . 25.0 111.616 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.14 39.67 1.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.548 0.69 . . . . 25.0 110.726 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 81' ' ' VAL . 27.6 ttmt -44.76 116.97 1.17 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.462 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -102.94 145.96 29.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.068 -0.969 . . . . 25.0 110.078 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.7 138.12 53.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.716 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -77.85 -171.35 2.22 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.031 -0.531 . . . . 25.0 112.339 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.5 -31.88 62.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -88.83 -16.69 31.41 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 22.26 12.92 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.258 -0.428 . . . . 25.0 112.847 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -92.98 148.58 21.88 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.492 0.317 . . . . 25.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -68.7 119.45 13.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.52 -175.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -128.52 99.7 5.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.368 -0.833 . . . . 25.0 108.76 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HG2' ' A' ' 79' ' ' GLU . 93.7 t -97.33 127.36 38.5 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.014 -172.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.27 130.96 38.39 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.94 2.426 . . . . 25.0 113.366 -177.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 pttt . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 114.891 -1.05 . . . . 25.0 111.564 -175.024 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 88.8 m-70 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.522 0.201 . . . . 25.0 111.108 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.441 ' SD ' ' NH2' ' A' ' 61' ' ' ARG . 60.8 ttp -101.91 135.68 43.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.237 0.541 . . . . 25.0 111.035 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -117.69 165.65 13.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.719 -1.128 . . . . 25.0 108.938 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.476 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -119.23 144.84 46.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.831 0.348 . . . . 25.0 110.582 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -129.61 176.08 8.29 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.593 -0.73 . . . . 25.0 111.861 -172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -123.31 -17.78 6.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.971 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -141.94 143.62 33.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.663 0.385 . . . . 25.0 111.14 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.6 ttt180 -75.4 -28.08 59.3 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.494 -0.775 . . . . 25.0 112.145 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.8 p -74.19 -19.07 60.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.918 -0.583 . . . . 25.0 111.591 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.71 -62.54 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 109.057 -0.719 . . . . 25.0 109.057 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 24.7 ptp -43.78 -50.91 7.62 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.072 0.549 . . . . 25.0 112.213 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' MET . 82.5 m-20 -64.0 -26.08 68.41 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.521 0.513 . . . . 25.0 112.005 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -81.95 -33.18 30.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.867 0.467 . . . . 25.0 111.616 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.92 -51.76 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 48' ' ' LEU . 85.7 tttt -44.99 -51.12 10.2 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.652 1.181 . . . . 25.0 112.3 172.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 ttm -53.79 -53.39 53.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.35 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.4 m -57.77 -61.08 2.78 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.314 0.384 . . . . 25.0 110.066 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 62' ' ' LEU . 91.1 mt -43.12 -57.28 2.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.234 1.014 . . . . 25.0 111.004 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.409 ' OE1' HD11 ' A' ' 48' ' ' LEU . 65.4 tp60 -54.17 -32.44 55.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.001 -1.0 . . . . 25.0 113.242 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -76.41 -22.81 54.24 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.779 0.288 . . . . 25.0 111.779 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.713 ' HB ' HD12 ' A' ' 42' ' ' LEU . 92.4 mt -82.44 -42.28 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.768 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.86 -35.32 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 122.24 0.216 . . . . 25.0 111.106 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.26 -17.96 64.11 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.71 0.631 . . . . 25.0 111.457 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -78.08 -42.01 33.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.948 0.499 . . . . 25.0 110.94 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 78.0 m-85 -84.0 0.12 49.35 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.278 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 49.0 tptt . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.717 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.017 0.437 . . . . 25.0 111.902 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.17 -114.57 0.73 Allowed Glycine 0 C--N 1.334 0.423 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.781 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.608 0.363 . . . . 25.0 110.54 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.33 154.38 41.6 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.763 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 96.9 mt -112.76 137.48 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.525 -0.761 . . . . 25.0 109.065 175.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -141.13 117.58 10.82 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.171 -0.468 . . . . 25.0 109.791 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 63.69 41.07 7.34 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.879 0.872 . . . . 25.0 112.031 -177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 70.67 -7.54 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.705 1.202 . . . . 25.0 113.611 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.92 121.21 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.488 ' HA ' HG12 ' A' ' 8' ' ' ILE . 47.3 t -81.75 135.93 35.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.273 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.77 -157.47 8.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.067 -0.97 . . . . 25.0 113.013 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' GLY . 93.3 mt -126.3 138.74 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.189 -0.506 . . . . 25.0 109.847 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.76 135.43 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.392 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 141.14 42.32 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.989 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.54 129.59 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.338 0.589 . . . . 25.0 110.633 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.63 105.67 17.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.562 -1.199 . . . . 25.0 111.405 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -121.29 168.29 11.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 71.46 3.7 4.77 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 123.733 0.813 . . . . 25.0 111.691 -172.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.47 -172.5 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 114.275 -1.329 . . . . 25.0 110.167 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -73.64 159.83 83.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 105.27 -2.122 . . . . 25.0 105.27 171.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.78 130.28 2.76 Favored 'Trans proline' 0 C--N 1.374 1.911 0 CA-C-N 122.193 1.819 . . . . 25.0 114.029 -139.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.4 138.55 7.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 113.826 -1.534 . . . . 25.0 113.462 -168.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.57 171.29 10.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.371 -1.741 . . . . 25.0 110.808 -169.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -121.29 121.39 37.59 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 167.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.33 107.98 16.29 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.795 -175.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.669 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 70.1 t90 -84.53 136.2 33.9 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.218 170.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 74.9 mtp85 -126.76 165.73 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.006 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.6 p -73.77 166.53 23.15 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 175.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 m -53.77 -29.96 42.42 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 25.0 112.763 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -99.66 -31.34 11.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.589 170.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 18.94 10.78 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.572 -0.74 . . . . 25.0 114.204 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.92 -30.38 69.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.891 0.345 . . . . 25.0 110.835 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 60.5 mttp -106.15 143.27 34.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 173.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.32 136.7 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.818 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.669 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -133.14 146.83 51.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.628 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -129.33 140.7 51.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.09 0.472 . . . . 25.0 111.895 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG11 HD22 ' A' ' 62' ' ' LEU . 22.9 t -126.48 108.16 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.584 176.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.15 122.68 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -77.51 -21.7 52.34 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -67.95 -4.05 11.86 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.227 0.537 . . . . 25.0 110.569 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.25 3.21 14.22 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.218 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 63' ' ' ILE . 48.0 mm -109.1 139.67 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.329 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -105.32 -49.56 3.42 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.524 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 48' ' ' LEU . 57.7 mttp -132.21 174.98 9.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 122.611 0.364 . . . . 25.0 111.294 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' HG ' ' A' ' 62' ' ' LEU . 15.3 mt -150.61 137.6 19.22 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -134.33 118.84 17.95 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.573 0.212 . . . . 25.0 111.573 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.695 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.2 152.48 28.35 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.781 ' CG2' ' H ' ' A' ' 59' ' ' MET . 9.2 t -71.33 122.46 87.14 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 123.252 0.621 . . . . 25.0 111.523 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.01 163.55 4.17 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.014 2.476 . . . . 25.0 113.463 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -12.82 61.5 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.986 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -95.76 -16.7 21.75 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.367 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 57' ' ' LYS . 29.5 t -68.97 146.29 52.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.339 0.656 . . . . 25.0 112.545 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -4.95 2.36 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.564 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' HG21 ' A' ' 51' ' ' THR . 75.9 mmtt -120.73 147.13 45.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.72 -1.127 . . . . 25.0 112.667 -163.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.677 ' HA ' HG21 ' A' ' 51' ' ' THR . 73.3 mtm -120.03 95.84 4.92 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.701 -1.136 . . . . 25.0 108.701 168.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.781 ' H ' ' CG2' ' A' ' 51' ' ' THR . 8.0 ptp -156.02 159.04 38.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.837 -174.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 15.0 tp -135.44 119.51 17.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.927 -1.033 . . . . 25.0 109.05 178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.542 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 91.7 mtt-85 -104.68 144.29 31.92 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.314 0.578 . . . . 25.0 112.006 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 5.5 mp -123.91 107.82 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.767 -1.106 . . . . 25.0 110.517 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 45' ' ' ILE . 79.3 mt -85.44 130.24 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.956 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.77 170.98 35.53 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.711 -0.677 . . . . 25.0 113.854 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.237 0.426 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -177.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 25.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -83.42 -15.99 47.57 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.42 33.64 0.69 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.372 0.669 . . . . 25.0 111.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -46.49 120.45 2.89 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.035 0.934 . . . . 25.0 112.376 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -99.74 151.61 21.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.539 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.38 141.61 51.84 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.891 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -83.76 -170.03 2.87 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.891 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.07 -31.66 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -90.01 -15.82 31.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.987 0.365 . . . . 25.0 111.987 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.85 30.37 Favored Glycine 0 C--N 1.34 0.769 0 O-C-N 123.365 0.416 . . . . 25.0 112.806 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.58 145.12 27.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.546 0.338 . . . . 25.0 110.163 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -73.42 117.36 15.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.13 -0.486 . . . . 25.0 111.174 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.76 100.83 8.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.146 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 79' ' ' GLU . 66.0 t -98.98 128.92 30.84 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.811 -170.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 122.3 8.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.719 2.279 . . . . 25.0 111.672 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.548 0.897 0 CA-C-N 114.668 -1.151 . . . . 25.0 112.877 -172.022 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 90.0 m-70 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.4 ttp -139.83 143.29 36.73 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.996 0.427 . . . . 25.0 111.17 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -135.18 129.53 33.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.328 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.763 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 13.8 t -87.55 141.27 28.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.354 0.597 . . . . 25.0 111.908 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 11.9 m-85 -123.94 175.4 6.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.7 -1.137 . . . . 25.0 111.539 -172.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -123.21 -17.1 6.73 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.136 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -146.12 128.28 15.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.867 0.365 . . . . 25.0 110.964 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -58.46 -20.43 45.17 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.882 0.873 . . . . 25.0 113.304 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.1 p -75.43 -31.72 60.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.187 0.304 . . . . 25.0 111.45 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.5 -62.11 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.695 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.8 ttp -48.66 -31.77 7.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.101 0.96 . . . . 25.0 113.538 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -81.21 -22.49 38.78 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 -33.86 19.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.65 0.38 . . . . 25.0 111.734 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.72 -52.27 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.6 tttt -55.28 -40.06 70.57 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.682 0.793 . . . . 25.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.6 ttp -54.81 -49.4 71.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.215 0.606 . . . . 25.0 111.426 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.7 m -62.21 -57.44 11.43 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.245 0.341 . . . . 25.0 110.129 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 101' ' ' LYS . 85.1 mt -43.84 -59.48 2.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.909 0.884 . . . . 25.0 110.795 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -50.75 -30.31 13.65 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.125 0.97 . . . . 25.0 113.496 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.06 -20.59 28.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 25.0 111.132 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.9 -42.07 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.143 0.577 . . . . 25.0 111.508 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.46 -34.85 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 117.699 0.227 . . . . 25.0 110.934 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -63.79 -16.99 62.62 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.617 0.573 . . . . 25.0 111.735 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.48 -41.64 23.98 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.468 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -82.11 -2.47 52.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.349 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 115.377 -0.829 . . . . 25.0 109.999 178.745 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 97.3 p . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.739 0.304 . . . . 25.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -168.17 -131.32 1.28 Allowed Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.632 -0.713 . . . . 25.0 111.906 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.36 130.76 41.13 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.417 0.151 . . . . 25.0 110.72 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.24 151.57 40.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.654 -178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.747 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 74.8 mt -113.0 132.09 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -137.8 116.41 12.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.187 -0.46 . . . . 25.0 109.93 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.19 39.9 7.2 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.883 0.873 . . . . 25.0 111.75 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 69.21 -4.68 1.23 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.697 1.199 . . . . 25.0 113.594 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.23 113.99 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 171.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.412 ' HA ' HG12 ' A' ' 8' ' ' ILE . 33.3 t -74.5 133.14 42.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.034 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.14 -160.06 8.65 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.224 -0.898 . . . . 25.0 113.516 -174.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' GLY . 13.6 mt -127.28 133.19 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 114.822 -0.689 . . . . 25.0 109.972 -178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG13 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -100.82 132.72 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.635 -179.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.21 135.8 37.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 25.0 111.224 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 26' ' ' GLU . 79.5 mt -96.24 134.66 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 121.794 0.807 . . . . 25.0 110.645 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -100.44 105.73 17.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.663 -1.608 . . . . 25.0 111.132 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' OE2' HD11 ' A' ' 107' ' ' ILE . 92.9 mt-10 -119.72 167.89 11.61 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 173.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 73.71 1.12 3.84 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.961 0.905 . . . . 25.0 110.639 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -103.03 -172.65 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 114.711 -1.132 . . . . 25.0 110.107 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.77 160.84 81.09 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 171.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -40.95 128.99 2.87 Favored 'Trans proline' 0 C--N 1.37 1.702 0 CA-C-N 121.856 1.698 . . . . 25.0 113.664 -139.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.6 137.0 9.58 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.041 -1.436 . . . . 25.0 113.264 -168.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.5 mt-10 -121.54 172.17 8.28 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.403 -1.726 . . . . 25.0 111.041 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 22.8 tp -128.27 105.56 8.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 174.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -105.46 111.55 24.3 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.376 -171.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.2 t90 -85.87 137.52 32.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.532 170.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -129.57 167.41 17.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.03 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.516 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.5 p -77.34 170.69 16.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.524 0.602 . . . . 25.0 112.546 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.32 -31.04 13.09 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 169.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.91 18.29 15.93 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.258 -0.883 . . . . 25.0 113.753 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -68.43 -29.33 67.97 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.782 0.433 . . . . 25.0 111.642 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 1.2 mttp -104.36 140.9 37.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 7.7 p -149.12 140.57 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 -174.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.543 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 96.6 m-70 -137.03 147.49 46.23 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.267 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.5 m -129.28 131.4 46.98 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 93.4 t -116.61 107.82 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.217 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -80.53 122.41 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.32 -23.78 50.92 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 82.4 p -67.02 -3.5 7.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.186 0.517 . . . . 25.0 110.577 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.3 p -115.51 -2.85 12.44 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.722 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.4 mm -102.05 144.62 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.741 0.816 . . . . 25.0 109.338 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -110.18 -45.41 3.59 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.861 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.636 ' HB2' HD12 ' A' ' 63' ' ' ILE . 63.0 mttp -133.06 174.67 10.11 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.943 0.401 . . . . 25.0 111.909 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 7.1 tt -150.17 129.86 13.19 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' N ' HD23 ' A' ' 48' ' ' LEU . 18.5 mt-30 -127.26 114.55 17.77 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.751 0.31 . . . . 25.0 111.677 -176.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.41 157.85 21.39 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.877 HG21 ' HA ' ' A' ' 58' ' ' MET . 4.8 t -75.34 125.22 89.14 Favored Pre-proline 0 N--CA 1.481 1.108 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.411 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -57.8 163.26 9.49 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.715 2.277 . . . . 25.0 112.984 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.33 55.87 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.997 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.8 p -95.59 -17.65 21.21 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.89 -0.595 . . . . 25.0 110.958 173.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.455 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -70.84 140.97 51.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.57 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.92 -17.42 64.33 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.968 -1.015 . . . . 25.0 111.773 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.68 154.99 16.93 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.769 -1.105 . . . . 25.0 112.978 -172.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.877 ' HA ' HG21 ' A' ' 51' ' ' THR . 75.2 mtm -127.65 99.03 5.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.823 -1.081 . . . . 25.0 108.991 169.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.694 ' H ' ' CG2' ' A' ' 51' ' ' THR . 11.1 ptp -155.67 158.42 38.25 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.861 -173.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -140.61 118.31 11.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.086 -0.961 . . . . 25.0 108.999 176.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 67.4 mtp85 -103.29 145.99 29.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.194 0.521 . . . . 25.0 111.711 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -126.69 106.67 9.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.801 -1.09 . . . . 25.0 109.956 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 47' ' ' LYS . 8.2 mt -85.64 129.41 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.112 -173.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.88 159.52 34.46 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.763 -0.653 . . . . 25.0 113.089 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.536 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -81.3 2.68 27.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.655 0.382 . . . . 25.0 111.711 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -91.69 27.42 2.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.01 0.524 . . . . 25.0 111.245 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -47.93 119.09 2.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.905 0.882 . . . . 25.0 112.399 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -105.94 154.56 20.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.334 -0.848 . . . . 25.0 110.303 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.66 143.7 51.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.41 -0.359 . . . . 25.0 110.116 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -85.18 -171.11 3.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.695 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.89 -31.64 66.94 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -88.77 -18.07 28.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 14.71 31.48 Favored Glycine 0 C--N 1.343 0.94 0 C-N-CA 121.505 -0.378 . . . . 25.0 113.552 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -83.58 147.99 27.43 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.707 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -75.03 114.01 13.02 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.278 -174.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.64 100.98 11.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.235 176.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.53 126.74 44.44 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 115.338 -0.847 . . . . 25.0 111.548 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.21 127.55 15.2 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.827 2.351 . . . . 25.0 112.378 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.539 0.545 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.717 -174.823 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 . . . . . 0 CA--C 1.537 0.448 0 CA-C-O 120.773 0.321 . . . . 25.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.7 ttt -100.04 138.62 36.86 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.995 -175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -131.15 126.67 36.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.596 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.747 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 22.6 t -81.76 136.18 35.44 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.328 0.585 . . . . 25.0 111.219 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 97' ' ' MET . 8.9 m-85 -117.01 175.57 5.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.612 -173.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -122.66 -15.22 7.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.5 -0.773 . . . . 25.0 111.299 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -151.24 132.15 14.2 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.956 0.502 . . . . 25.0 110.457 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 10.6 mpt_? -62.5 -18.32 61.63 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 p -75.78 -29.35 58.74 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.089 0.243 . . . . 25.0 111.308 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.5 -62.5 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.644 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 22.8 ptp -46.63 -32.95 3.82 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.145 0.978 . . . . 25.0 113.438 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -80.11 -24.76 40.31 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.058 0.224 . . . . 25.0 111.583 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -85.61 -31.31 22.68 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.413 0.446 . . . . 25.0 111.762 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 104' ' ' LEU . 32.0 mm -71.56 -53.11 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 172.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -50.93 -43.95 60.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.7 0.8 . . . . 25.0 111.78 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.53 -51.79 64.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.242 0.617 . . . . 25.0 111.641 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 107' ' ' ILE . 11.3 m -58.85 -61.09 2.88 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.554 ' CD2' HG22 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -43.25 -59.42 2.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.288 1.035 . . . . 25.0 110.978 177.059 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -49.65 -32.36 12.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.139 0.975 . . . . 25.0 113.597 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.29 -20.65 34.04 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.401 0.438 . . . . 25.0 111.225 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.693 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 60.5 mt -85.62 -34.25 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 123.546 0.738 . . . . 25.0 111.664 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.1 -43.14 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 118.181 0.446 . . . . 25.0 110.88 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.49 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 89.0 p -63.16 -22.54 66.93 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.195 0.522 . . . . 25.0 110.386 173.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 50.1 tpt85 -68.64 -39.02 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.612 1.165 . . . . 25.0 111.253 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 43' ' ' SER . 70.0 m-85 -90.27 -6.79 54.77 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.83 175.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 64.6 tttm . . . . . 0 CA--C 1.535 0.381 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.158 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo . . . . . 0 N--CA 1.488 1.197 0 N-CA-C 111.332 -0.295 . . . . 25.0 111.332 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -127.37 -35.2 2.2 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.25 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.679 ' CD2' HG21 ' A' ' 103' ' ' THR . 74.7 m80 70.71 -31.53 0.22 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.527 1.131 . . . . 25.0 112.991 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.6 t -128.77 143.46 50.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.988 0.423 . . . . 25.0 110.923 -178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.51 -119.33 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.175 -0.921 . . . . 25.0 111.957 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.14 123.63 10.37 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.751 0.42 . . . . 25.0 110.321 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -141.0 152.87 45.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 86.8 mt -112.63 138.24 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.736 -0.665 . . . . 25.0 109.27 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -140.91 121.73 14.42 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.912 -0.586 . . . . 25.0 109.636 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 61.12 39.47 16.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.714 0.806 . . . . 25.0 112.06 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.61 -6.35 1.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.581 1.152 . . . . 25.0 113.767 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 36' ' ' LYS . 88.9 t -93.53 120.86 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 173.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -81.96 137.0 35.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.513 -175.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.65 -158.89 8.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.873 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.73 138.71 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.475 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 140.04 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.545 -178.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.0 140.91 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.469 0.481 . . . . 25.0 111.129 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.1 mt -98.27 140.26 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.427 0.632 . . . . 25.0 109.964 175.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.5 t30 -110.88 100.2 8.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.425 -1.261 . . . . 25.0 110.54 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -122.56 167.36 13.48 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.16 2.5 4.34 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.932 0.893 . . . . 25.0 110.594 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.72 -173.45 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.785 -1.098 . . . . 25.0 110.517 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.47 159.91 82.41 Favored Pre-proline 0 N--CA 1.471 0.601 0 N-CA-C 105.319 -2.104 . . . . 25.0 105.319 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.88 130.07 4.17 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.425 1.902 . . . . 25.0 113.502 -140.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.02 132.25 15.42 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.975 -1.466 . . . . 25.0 112.79 -167.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -128.79 141.84 51.18 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 115.016 -0.993 . . . . 25.0 113.093 -173.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 47.8 tp -96.72 105.12 17.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -104.87 107.99 19.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.373 -1.285 . . . . 25.0 111.187 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -85.3 131.94 34.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.445 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -126.18 157.25 38.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.604 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.555 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.7 p -67.93 167.92 12.76 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.2 -0.429 . . . . 25.0 109.971 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.45 -30.08 51.66 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -98.69 -31.65 11.8 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.219 -0.446 . . . . 25.0 109.954 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.99 17.96 15.0 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 115.596 -0.729 . . . . 25.0 113.898 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.5 p-10 -69.08 -28.92 66.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.602 0.361 . . . . 25.0 111.517 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 3.7 mttp -107.12 138.49 43.19 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.18 132.5 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 120.955 0.407 . . . . 25.0 111.788 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -124.89 144.26 50.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.216 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -128.92 129.18 45.15 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.5 t -114.73 107.68 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.507 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.41 118.62 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 104' ' ' LEU . 2.6 mm? -76.52 -17.63 59.16 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -171.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -70.37 -4.05 20.44 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.114 0.483 . . . . 25.0 110.413 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.79 -0.24 12.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.048 -0.978 . . . . 25.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.0 mm -103.29 141.57 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.433 0.693 . . . . 25.0 109.758 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -108.84 -42.54 4.45 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 25.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 96.7 mttt -133.5 171.87 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.728 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.46 129.65 12.75 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 115.434 -0.803 . . . . 25.0 109.141 177.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.458 HE21 HD12 ' B' ' 546' ' ' LEU . 42.2 mt-30 -127.67 125.29 39.82 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.691 0.223 . . . . 25.0 110.854 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.52 151.9 35.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 58' ' ' MET . 9.2 t -67.75 120.57 74.54 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 122.987 0.515 . . . . 25.0 111.357 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.4 164.03 7.61 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.648 2.232 . . . . 25.0 113.176 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.25 -7.66 53.49 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.782 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -93.81 -18.06 22.43 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.922 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -73.54 139.5 45.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.733 -0.667 . . . . 25.0 112.223 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.19 -14.46 60.67 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.108 -0.951 . . . . 25.0 111.981 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -97.58 150.74 20.8 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.699 -1.137 . . . . 25.0 113.114 -170.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.675 ' HA ' HG21 ' A' ' 51' ' ' THR . 66.4 mtm -120.64 97.85 5.75 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.085 -0.961 . . . . 25.0 109.102 168.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.603 ' H ' ' CG2' ' A' ' 51' ' ' THR . 10.0 ptp -157.6 160.66 38.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.603 -174.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.1 tp -142.17 119.53 11.57 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.426 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.579 ' NE ' ' HD3' ' A' ' 86' ' ' ARG . 17.4 ttp180 -99.91 145.78 27.41 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.829 0.347 . . . . 25.0 111.138 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 3.8 mm? -127.86 114.1 16.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.598 -0.728 . . . . 25.0 109.86 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 6.1 mt -93.62 125.27 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.117 -170.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.65 166.33 41.35 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.542 -0.754 . . . . 25.0 113.472 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.2 118.55 26.68 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 84' ' ' PRO . 1.8 t -121.48 148.16 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 114.858 -1.065 . . . . 25.0 110.667 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -89.78 101.24 13.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.02 -0.991 . . . . 25.0 109.188 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.62 -1.87 58.03 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.6 p -79.16 -1.81 37.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.712 0.291 . . . . 25.0 111.729 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -97.19 34.51 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.784 -0.644 . . . . 25.0 110.874 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -46.02 121.79 3.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.159 0.984 . . . . 25.0 112.425 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -102.61 152.14 21.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.891 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.28 147.9 50.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.368 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.446 ' OD2' ' HB2' ' A' ' 78' ' ' ASN . 10.7 p30 -83.72 -175.72 5.95 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.294 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.38 -32.42 64.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.27 -11.91 36.72 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.17 8.5 Favored Glycine 0 C--N 1.34 0.784 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.8 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' HB2' ' OD2' ' A' ' 74' ' ' ASP . 72.7 m-20 -88.27 140.25 29.67 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.6 0.36 . . . . 25.0 110.41 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.8 tt0 -72.88 114.56 11.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.991 -175.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.2 100.63 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.039 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.6 t -98.05 127.04 38.1 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.137 -0.938 . . . . 25.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.45 128.68 20.76 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 25.0 112.696 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.4 151.85 38.91 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.52 -173.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.447 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.7 Cg_endo -70.86 153.45 63.89 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.938 2.425 . . . . 25.0 113.54 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -91.69 136.23 33.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.394 -0.821 . . . . 25.0 111.15 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.579 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 56.8 mtt85 -114.76 139.08 49.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.394 -173.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 -110.68 115.28 29.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.843 0.457 . . . . 25.0 110.829 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 94.8 mtp -96.61 147.06 24.27 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.678 0.275 . . . . 25.0 111.186 -176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -137.66 126.62 24.17 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.692 174.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.535 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -83.87 144.58 29.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.972 0.415 . . . . 25.0 111.299 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.32 176.1 8.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.786 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -122.13 -15.59 7.7 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.517 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -142.36 143.6 32.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.85 0.46 . . . . 25.0 111.106 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 94' ' ' ARG . 30.2 mmt-85 -79.5 -18.39 52.08 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.87 -0.604 . . . . 25.0 112.251 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.9 -19.34 57.54 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.378 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.75 -62.21 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptp -46.14 -39.84 10.14 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.4 -25.06 62.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.253 -0.431 . . . . 25.0 111.785 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.15 -32.84 19.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.003 0.521 . . . . 25.0 111.954 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.08 -53.5 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -54.21 -41.43 68.63 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.999 0.92 . . . . 25.0 112.156 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -53.0 58.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.105 0.562 . . . . 25.0 111.411 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.679 HG21 ' CD2' ' A' ' 3' ' ' HIS . 83.9 m -60.96 -56.95 15.03 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.278 0.361 . . . . 25.0 110.17 176.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.7 mt -43.66 -58.56 2.61 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.944 0.898 . . . . 25.0 110.8 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -50.38 -31.57 15.13 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -84.01 -20.32 32.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.974 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.73 -44.83 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.392 0.677 . . . . 25.0 111.471 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.3 -33.09 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.2 0.2 . . . . 25.0 110.893 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.6 p -65.35 -19.12 65.81 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.754 0.659 . . . . 25.0 111.767 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.84 -41.14 30.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.624 0.37 . . . . 25.0 110.71 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -83.87 -1.67 54.91 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.348 -0.842 . . . . 25.0 111.229 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -89.73 -30.5 17.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.157 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -89.43 -33.46 16.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.458 -0.792 . . . . 25.0 111.295 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.76 86.69 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.94 0.896 . . . . 25.0 112.431 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 58.6 t0 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.986 -1.006 . . . . 25.0 110.268 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.508 -0.237 . . . . 25.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.2 t -130.95 131.09 23.01 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-O 119.478 -0.296 . . . . 25.0 111.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.73 145.81 37.37 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.352 2.035 . . . . 25.0 113.249 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -140.48 171.79 23.84 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.976 -0.557 . . . . 25.0 113.019 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -104.3 107.86 58.7 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 122.451 0.3 . . . . 25.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -66.79 135.34 37.94 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.41 2.073 . . . . 25.0 112.916 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -118.05 133.65 55.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.882 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -148.5 68.91 0.35 Allowed Glycine 0 C--N 1.337 0.597 0 CA-C-N 115.867 -0.606 . . . . 25.0 112.56 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 89.7 mt -122.45 38.03 4.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.17 0.509 . . . . 25.0 111.569 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.03 -4.72 42.82 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.787 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . 0.418 ' OG ' ' CG ' ' B' ' 533' ' ' ASP . 38.2 t -149.16 -71.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.782 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -164.47 -98.86 0.13 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 112.055 -0.418 . . . . 25.0 112.055 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -152.8 -26.6 0.16 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.709 -0.746 . . . . 25.0 111.349 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -96.76 4.95 51.5 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.515 -176.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . 0.418 ' CG ' ' OG ' ' B' ' 529' ' ' SER . 10.4 m-20 -92.3 -11.12 36.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.294 -0.867 . . . . 25.0 111.225 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.17 -17.63 20.69 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.0 p -87.24 -8.7 56.53 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 123.344 0.403 . . . . 25.0 111.736 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.9 p -85.16 -34.64 22.06 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.244 -0.434 . . . . 25.0 110.943 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 47.8 pt -88.38 -24.06 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.733 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -85.96 8.3 20.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.321 0.582 . . . . 25.0 111.466 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -90.41 -28.68 18.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.006 -0.997 . . . . 25.0 109.316 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.1 mmm -75.45 -17.82 60.05 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.497 -0.774 . . . . 25.0 110.958 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -79.09 -30.66 43.97 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.19 -0.914 . . . . 25.0 112.674 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -25.78 31.49 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -170.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.5 p -81.32 -16.58 52.01 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.014 0.375 . . . . 25.0 112.014 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.14 -11.63 37.89 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.69 -37.27 16.85 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.458 HD12 HE21 ' A' ' 49' ' ' GLN . 85.1 mt -78.79 -27.79 44.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.913 0.387 . . . . 25.0 111.153 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.0 p -98.27 -49.45 4.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.254 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 53.6 99.87 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.902 0.881 . . . . 25.0 112.706 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 84.9 mt -125.42 134.86 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.486 -0.779 . . . . 25.0 111.066 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 33.3 t -102.68 136.3 42.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.875 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.822 -0.609 . . . . 25.0 110.856 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 111.212 -0.341 . . . . 25.0 111.212 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 4' ' ' SER . 42.8 t -137.8 111.66 8.31 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.923 -0.581 . . . . 25.0 110.449 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 54.4 m170 -82.73 -5.29 58.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.917 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 2' ' ' SER . 85.6 p -146.97 146.22 30.02 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.119 -177.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.63 -118.34 0.65 Allowed Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.808 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.29 126.65 13.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.618 0.367 . . . . 25.0 110.334 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.26 152.51 41.78 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.4 mt -111.06 137.31 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.253 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -141.83 118.82 11.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.593 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 63.42 41.12 7.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.826 0.85 . . . . 25.0 111.909 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.23 -8.3 0.87 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.648 1.179 . . . . 25.0 113.51 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -92.98 119.69 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -80.12 135.59 36.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.438 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.37 -158.72 8.49 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.215 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -126.58 137.54 57.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.068 -0.566 . . . . 25.0 109.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.88 137.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.586 -178.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.06 44.64 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.148 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 92.7 mt -104.14 131.48 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.369 0.604 . . . . 25.0 110.771 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -98.91 105.31 17.44 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.026 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -122.94 167.72 13.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 69.59 5.47 5.2 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.628 0.771 . . . . 25.0 111.799 -172.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.69 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 114.257 -1.338 . . . . 25.0 110.228 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -73.99 160.23 82.26 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 105.263 -2.125 . . . . 25.0 105.263 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -40.95 130.01 2.89 Favored 'Trans proline' 0 C--N 1.374 1.881 0 CA-C-N 122.32 1.864 . . . . 25.0 113.74 -139.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.44 139.09 20.52 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.043 -1.435 . . . . 25.0 113.3 -166.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.8 mt-10 -123.88 171.38 9.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 113.497 -1.683 . . . . 25.0 110.815 -169.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD11 HG12 ' A' ' 16' ' ' ILE . 25.7 tp -122.85 121.31 35.93 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.5 m -113.22 108.65 17.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.522 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 90.5 t90 -84.58 134.59 34.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.549 -0.75 . . . . 25.0 109.243 171.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.61 162.96 23.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.91 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 79.6 p -71.35 169.04 16.12 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -54.86 -30.34 57.54 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.61 0.596 . . . . 25.0 112.61 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.94 -31.35 11.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.551 170.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.86 18.79 11.81 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 115.641 -0.709 . . . . 25.0 113.92 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.2 p-10 -67.82 -29.68 68.9 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.73 0.412 . . . . 25.0 111.234 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -106.97 138.79 42.46 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.99 132.59 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 120.824 0.345 . . . . 25.0 111.775 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 99.5 m-70 -127.39 148.83 50.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.586 -0.734 . . . . 25.0 109.542 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.93 143.3 50.84 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.127 0.489 . . . . 25.0 111.782 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 62' ' ' LEU . 46.7 t -129.85 107.48 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 114.998 -1.001 . . . . 25.0 109.447 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.7 120.98 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.606 HD11 HD22 ' A' ' 104' ' ' LEU . 2.7 mm? -74.89 -21.22 59.35 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -171.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -68.52 -3.64 12.3 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.267 0.556 . . . . 25.0 110.52 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.22 4.49 14.53 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.881 -1.054 . . . . 25.0 110.228 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -111.76 144.91 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.652 0.781 . . . . 25.0 109.769 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -114.19 -45.34 3.06 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.587 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 24.9 mtmm -132.17 168.42 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -176.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.94 129.03 14.56 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' HB3' HD11 ' B' ' 546' ' ' LEU . 84.6 mt-30 -130.03 114.58 15.97 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -114.18 154.86 27.11 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.52 123.6 89.73 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.666 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.3 165.56 7.16 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.94 2.427 . . . . 25.0 113.156 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.64 54.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.956 -0.565 . . . . 25.0 112.161 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.5 p -97.1 -17.22 20.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.023 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -70.92 140.6 51.05 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.653 -0.703 . . . . 25.0 112.765 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.666 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -59.73 -24.06 63.71 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.593 -1.185 . . . . 25.0 112.181 174.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' B' ' 541' ' ' ASP . 66.5 mttm -93.76 153.99 18.01 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.31 -1.313 . . . . 25.0 113.137 -169.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm -125.37 97.86 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.935 -1.029 . . . . 25.0 108.894 169.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.68 ' SD ' ' HB3' ' A' ' 88' ' ' MET . 4.4 ttm -156.04 154.43 31.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.606 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 49.2 tp -136.93 118.9 15.29 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.183 -0.917 . . . . 25.0 108.963 176.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 14.5 mtm180 -101.12 146.97 26.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.264 0.554 . . . . 25.0 111.824 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 22.1 mt -127.0 103.48 7.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.618 -1.173 . . . . 25.0 109.494 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 88.7 mt -84.95 129.62 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.78 -0.645 . . . . 25.0 109.576 -174.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.9 162.45 31.32 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.446 -0.797 . . . . 25.0 113.522 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.78 119.61 22.92 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.245 0.545 . . . . 25.0 111.255 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.43 138.5 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.928 -1.033 . . . . 25.0 111.254 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -93.58 89.8 6.4 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.105 171.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -84.66 -1.17 55.72 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.421 -0.809 . . . . 25.0 112.288 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -79.76 -18.8 50.2 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.803 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.32 23.22 1.34 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.235 0.614 . . . . 25.0 111.235 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HB3' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -48.02 135.6 12.52 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -173.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -104.77 156.27 18.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.975 -1.011 . . . . 25.0 110.501 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.73 140.93 52.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 25.0 109.694 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -80.08 -172.0 3.22 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.183 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.78 -31.77 62.89 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -89.97 -22.57 21.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 16.85 12.33 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.443 -0.408 . . . . 25.0 113.387 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -86.63 149.56 24.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.34 118.09 16.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 -173.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.18 99.94 6.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.104 -0.953 . . . . 25.0 109.144 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 71' ' ' LYS . 11.9 t -99.21 128.16 32.69 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.9 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -58.05 133.79 57.9 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.788 2.325 . . . . 25.0 112.943 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -89.02 154.88 49.83 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.363 -0.835 . . . . 25.0 112.139 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.87 152.71 79.94 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.713 2.275 . . . . 25.0 113.311 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -92.41 130.78 37.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 111.246 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -118.58 120.12 36.55 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.928 -0.578 . . . . 25.0 110.718 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 6.3 m-70 -99.78 113.04 25.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.969 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.68 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 2.8 mtt -102.23 142.58 33.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.265 -175.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 59' ' ' MET . 98.0 m-85 -133.49 126.52 31.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.386 -0.825 . . . . 25.0 109.829 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.6 m -83.39 146.23 28.57 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.841 0.353 . . . . 25.0 111.207 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -129.47 175.78 8.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.965 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -122.36 -14.92 7.77 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.623 -0.717 . . . . 25.0 110.922 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -143.38 143.83 31.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.789 0.436 . . . . 25.0 110.935 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.86 -18.38 47.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.549 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -76.98 -19.36 57.41 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.274 0.359 . . . . 25.0 111.112 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -82.3 -63.16 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.9 ptp -46.82 -39.63 12.27 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 102' ' ' MET . 92.9 m-20 -69.63 -26.92 64.65 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.475 0.484 . . . . 25.0 111.759 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -87.28 -30.84 20.58 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 123.447 0.467 . . . . 25.0 112.171 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -70.77 -54.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -52.18 -42.23 63.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.213 1.005 . . . . 25.0 112.166 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 53.1 ttm -53.98 -53.5 52.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.17 0.588 . . . . 25.0 111.603 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.97 -57.8 11.3 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.28 0.363 . . . . 25.0 110.189 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.54 -58.8 2.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.139 0.976 . . . . 25.0 111.161 176.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -50.35 -31.72 15.39 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.166 0.986 . . . . 25.0 113.534 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -82.34 -20.3 37.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.007 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 97.9 mt -83.06 -43.77 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.446 0.698 . . . . 25.0 111.616 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.37 -35.83 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.128 0.171 . . . . 25.0 111.089 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -63.7 -17.73 63.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.618 0.574 . . . . 25.0 111.743 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -78.14 -43.58 28.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.763 0.425 . . . . 25.0 110.906 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -82.46 -3.33 55.57 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.227 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -86.68 -31.88 20.81 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.809 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -93.91 -22.71 18.44 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.221 -0.899 . . . . 25.0 111.015 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -120.13 67.18 0.83 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.689 0.757 . . . . 25.0 110.789 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.916 -1.04 . . . . 25.0 110.376 179.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.481 -0.248 . . . . 25.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.2 t 61.6 120.05 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 25.0 112.228 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.13 -27.38 13.9 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.344 2.029 . . . . 25.0 113.899 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 105.41 -98.58 1.46 Allowed Glycine 0 C--N 1.34 0.804 0 O-C-N 123.413 0.446 . . . . 25.0 112.658 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -117.6 113.27 38.5 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 119.511 -0.28 . . . . 25.0 110.816 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.07 139.16 77.13 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.578 2.185 . . . . 25.0 113.157 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -119.1 140.66 49.74 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.949 -0.569 . . . . 25.0 110.535 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 148.77 -160.12 28.27 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.741 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.2 mt -118.63 24.94 10.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.854 0.359 . . . . 25.0 111.758 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.72 -2.97 25.54 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.111 0.482 . . . . 25.0 111.475 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 40.7 t -156.85 115.15 3.27 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.064 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -100.99 -99.05 2.34 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.194 -0.526 . . . . 25.0 112.662 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -132.11 2.11 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.758 -0.721 . . . . 25.0 111.618 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -125.96 8.49 7.42 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.912 0.485 . . . . 25.0 112.234 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -109.37 8.47 25.48 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.205 -173.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.38 -19.01 24.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 94.3 p -89.52 -3.11 58.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.386 0.429 . . . . 25.0 111.943 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.5 p -86.18 -33.52 20.77 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.754 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -91.7 -26.9 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.74 -0.664 . . . . 25.0 110.66 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.34 7.39 29.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.316 0.579 . . . . 25.0 111.466 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.61 -30.07 11.97 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.997 -1.002 . . . . 25.0 109.162 173.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.1 mmm -71.67 -19.8 62.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.333 -0.848 . . . . 25.0 110.639 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 8.7 m-20 -73.24 -33.4 65.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.749 -1.114 . . . . 25.0 113.061 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.44 ' CD1' ' HD3' ' A' ' 61' ' ' ARG . 44.1 m-85 -81.61 -31.24 32.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -171.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -69.29 -29.24 67.07 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.19 -11.44 38.33 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.3 0.375 . . . . 25.0 111.3 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' B' ' 548' ' ' GLN . 2.9 mt -86.81 -33.53 19.83 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.767 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 49' ' ' GLN . 93.4 mt -88.96 -22.97 22.79 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.861 0.363 . . . . 25.0 111.056 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -90.9 -51.77 5.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.092 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 545' ' ' LEU . 91.1 mt-30 49.87 68.28 0.77 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.838 0.855 . . . . 25.0 112.737 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 84.8 mt -125.52 127.88 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.631 -0.713 . . . . 25.0 109.659 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 47.7 t 61.89 129.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.173 0.989 . . . . 25.0 112.505 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.252 1.207 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.701 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 N--CA 1.484 0.923 0 N-CA-C 111.72 -0.146 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -135.19 -170.38 2.57 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.367 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.732 ' HA ' HD12 ' A' ' 18' ' ' ILE . 16.7 m170 77.16 -48.83 0.53 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.098 1.359 . . . . 25.0 112.537 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 30.4 t -129.73 140.43 51.09 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.219 0.533 . . . . 25.0 112.09 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -156.12 -116.76 0.54 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 114.725 -1.125 . . . . 25.0 111.662 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.27 129.31 15.47 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 122.579 0.352 . . . . 25.0 110.519 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.72 149.96 36.48 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.74 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 64.1 mt -106.56 140.61 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -144.01 123.03 12.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 25.0 109.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 57.45 41.83 25.51 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.891 0.877 . . . . 25.0 112.061 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 70.85 -3.01 2.1 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.669 1.188 . . . . 25.0 113.027 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -92.06 122.3 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -81.14 132.27 35.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.125 -0.488 . . . . 25.0 110.212 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.97 -163.28 11.03 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.137 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -122.69 136.87 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 115.017 -0.592 . . . . 25.0 109.762 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.4 tt -100.43 140.38 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.167 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.73 146.2 45.54 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.016 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 3' ' ' HIS . 74.5 mt -104.32 140.23 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.571 0.7 . . . . 25.0 110.582 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.3 t-20 -110.26 99.48 8.51 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.045 -1.434 . . . . 25.0 110.612 -174.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.53 167.84 12.4 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.78 1.25 3.94 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.015 0.926 . . . . 25.0 110.541 -172.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -103.54 -172.68 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 114.635 -1.166 . . . . 25.0 110.096 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.03 161.59 77.78 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 106.214 -1.772 . . . . 25.0 106.214 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.96 129.36 4.21 Favored 'Trans proline' 0 C--N 1.372 1.802 0 CA-C-N 121.902 1.715 . . . . 25.0 113.255 -142.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.03 134.71 13.57 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.139 -1.391 . . . . 25.0 113.033 -165.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -130.89 139.63 50.13 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.941 -1.027 . . . . 25.0 112.951 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 62' ' ' LEU . 37.7 tp -95.69 109.14 21.46 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.7 m -102.76 107.07 17.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.084 -1.416 . . . . 25.0 110.54 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -84.5 136.5 33.79 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.518 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' HG13 ' A' ' 37' ' ' VAL . 82.3 mtm180 -127.88 159.91 33.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.215 174.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 86.6 p -70.85 169.14 15.29 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -28.07 61.22 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.722 0.692 . . . . 25.0 112.535 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -99.55 -29.99 12.4 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.291 -0.413 . . . . 25.0 109.985 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.42 18.64 20.73 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-N 115.584 -0.734 . . . . 25.0 113.63 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.35 -28.48 65.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.468 0.307 . . . . 25.0 110.595 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 73.6 tttt -109.98 128.19 55.24 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' A' ' 30' ' ' ARG . 45.8 t -139.25 128.38 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 116.297 -0.411 . . . . 25.0 111.486 -175.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.21 149.76 41.75 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.503 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.0 142.99 50.73 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.118 0.485 . . . . 25.0 111.506 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.7 t -132.02 106.95 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.225 -0.898 . . . . 25.0 109.955 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.43 117.25 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 104' ' ' LEU . 2.0 mm? -74.66 -18.3 60.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.68 -3.97 17.52 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.038 0.447 . . . . 25.0 110.779 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -115.1 7.89 15.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.24 -0.891 . . . . 25.0 110.139 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 32.5 mm -114.68 137.19 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.709 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -107.93 -42.04 4.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.397 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.8 mttt -132.99 170.28 15.6 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.69 126.12 10.12 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 90.9 mt-30 -127.32 117.95 23.23 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.506 0.194 . . . . 25.0 110.926 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.18 160.15 17.87 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.289 0.477 . . . . 25.0 112.289 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 57' ' ' LYS . 50.0 p -77.57 121.55 84.51 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.008 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.37 165.98 3.84 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.971 2.448 . . . . 25.0 113.344 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -10.87 60.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.704 -0.68 . . . . 25.0 112.03 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -99.34 -8.57 24.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.977 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -78.46 139.75 38.68 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.142 0.496 . . . . 25.0 112.116 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.758 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.1 mp0 -61.52 -16.69 49.91 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.977 -1.011 . . . . 25.0 111.791 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HB3' HG21 ' A' ' 51' ' ' THR . 40.2 mttm -99.39 157.29 16.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.654 -1.157 . . . . 25.0 112.977 -173.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.0 mtm -133.31 100.86 4.97 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.757 -1.11 . . . . 25.0 110.07 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.558 ' O ' ' SD ' ' A' ' 97' ' ' MET . 65.5 mtt -157.55 156.13 31.43 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.606 -1.179 . . . . 25.0 111.074 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 51.7 tp -135.6 118.57 16.34 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.166 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 88' ' ' MET . 62.9 mtt-85 -103.66 142.84 33.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.069 0.461 . . . . 25.0 111.606 -176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 66.7 mt -124.33 106.19 10.05 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.108 -178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -85.53 134.69 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.518 -0.764 . . . . 25.0 110.203 -173.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.7 159.94 27.28 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 115.886 -0.597 . . . . 25.0 113.878 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -84.48 112.2 20.17 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.447 0.642 . . . . 25.0 112.105 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 84' ' ' PRO . 2.5 t -122.53 149.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.508 -1.223 . . . . 25.0 110.821 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -95.59 103.04 14.9 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.146 -0.933 . . . . 25.0 109.789 174.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -84.8 -1.82 56.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.581 -0.736 . . . . 25.0 112.118 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -80.4 -22.95 40.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.919 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.02 132.63 35.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.775 0.43 . . . . 25.0 111.357 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.9 128.03 43.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.689 -0.687 . . . . 25.0 111.391 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 36.4 ttp85 -111.98 153.15 27.23 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.927 -0.579 . . . . 25.0 109.674 175.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.62 140.76 51.61 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.359 -0.382 . . . . 25.0 109.98 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.25 -174.99 4.84 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.458 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.01 -31.95 69.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.22 -30.51 57.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.06 15.86 13.64 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.285 0.366 . . . . 25.0 113.358 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.8 149.39 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.441 0.296 . . . . 25.0 110.527 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.3 pm0 -76.27 109.66 10.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.332 0.587 . . . . 25.0 111.341 -174.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 99.5 t -117.38 119.6 62.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.918 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.0 127.17 41.85 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 119.365 -0.35 . . . . 25.0 110.569 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -66.0 126.5 15.96 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.937 2.425 . . . . 25.0 113.71 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.99 155.65 37.28 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.581 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -71.76 147.03 49.66 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.809 2.339 . . . . 25.0 114.105 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.17 138.92 31.14 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.516 -1.22 . . . . 25.0 110.846 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' B' ' 539' ' ' ASP . 89.7 mtt180 -115.71 135.49 53.99 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.607 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 93.9 m-70 -107.3 112.74 25.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.586 0.354 . . . . 25.0 110.675 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.548 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 65.7 ttp -99.95 142.15 31.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.178 -175.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.94 127.97 29.64 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.567 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.74 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.0 144.45 29.94 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.052 0.454 . . . . 25.0 111.464 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -128.67 173.61 10.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.612 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -122.73 -14.49 7.7 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.824 -0.626 . . . . 25.0 112.271 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -148.83 126.01 11.43 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 120.862 0.363 . . . . 25.0 110.926 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 -56.06 -21.81 24.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -72.87 -33.52 66.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.149 0.28 . . . . 25.0 111.062 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.35 -61.91 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.6 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.3 ttp -49.66 -26.52 3.76 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -84.68 -27.2 27.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.45 -30.83 42.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.462 0.305 . . . . 25.0 111.746 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.0 mm -75.32 -54.47 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -54.13 -41.75 68.73 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.781 0.832 . . . . 25.0 112.54 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.2 ttp -55.6 -54.26 46.28 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.32 0.387 . . . . 25.0 111.632 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.459 HG21 ' CD2' ' A' ' 3' ' ' HIS . 99.0 m -55.12 -58.09 9.06 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.273 0.358 . . . . 25.0 110.049 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.591 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.75 1.68 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.869 0.868 . . . . 25.0 110.863 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -52.76 -28.34 21.87 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.846 0.858 . . . . 25.0 113.077 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -86.31 -20.31 28.55 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.973 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 96.6 mt -83.69 -41.85 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 C-N-CA 123.4 0.68 . . . . 25.0 111.552 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.8 mt -70.24 -33.79 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.143 0.177 . . . . 25.0 110.933 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.84 -17.14 64.0 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.749 0.656 . . . . 25.0 111.587 174.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -79.93 -39.19 30.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.746 173.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 90.3 m-85 -86.78 -2.83 58.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.257 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 28.2 tptp -86.68 -28.37 23.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.43 -0.804 . . . . 25.0 110.066 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -93.1 -17.32 23.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.375 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.04 -13.01 59.22 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.724 -0.655 . . . . 25.0 110.77 -179.77 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.407 -0.277 . . . . 25.0 112.407 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.3 t -107.3 127.06 28.61 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 122.317 0.247 . . . . 25.0 110.857 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -73.05 -16.91 25.31 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.37 2.047 . . . . 25.0 113.829 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 123.54 -94.47 0.5 Allowed Glycine 0 C--N 1.339 0.728 0 O-C-N 123.476 0.485 . . . . 25.0 112.487 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -113.25 91.69 20.06 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 123.618 0.246 . . . . 25.0 110.733 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.29 107.85 2.23 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.608 2.205 . . . . 25.0 112.934 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -142.42 126.37 17.25 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.743 -0.662 . . . . 25.0 110.141 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.05 13.01 10.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.9 -0.591 . . . . 25.0 113.454 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.423 HD22 ' HB2' ' B' ' 533' ' ' ASP . 51.2 mt -121.07 30.03 7.05 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.027 0.441 . . . . 25.0 111.552 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.9 mt -82.14 7.35 13.75 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.275 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 91.5 p -126.81 -41.71 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.279 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.44 15.18 41.74 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.108 -0.496 . . . . 25.0 113.614 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -126.79 1.57 6.71 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.834 0.317 . . . . 25.0 111.008 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.4 8.42 44.64 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.425 0.528 . . . . 25.0 112.425 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . 0.423 ' HB2' HD22 ' B' ' 527' ' ' LEU . 38.5 t70 -110.37 -17.29 13.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.12 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -93.4 -4.94 50.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.7 p -85.52 -3.59 58.91 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.492 0.317 . . . . 25.0 111.617 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.8 p -89.09 -34.96 16.56 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.05 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.82 -22.74 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.471 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.61 6.49 34.28 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.5 0.667 . . . . 25.0 110.469 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' A' ' 86' ' ' ARG . 1.1 m-20 -91.34 -29.01 17.36 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.55 -1.204 . . . . 25.0 109.069 172.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.1 mmm -70.21 -21.58 63.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.087 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -29.16 37.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.075 -0.966 . . . . 25.0 113.102 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -18.38 45.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 65.1 p -83.06 -31.36 27.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.44 -4.56 56.91 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.391 0.432 . . . . 25.0 110.898 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.438 HD21 HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -87.0 -32.94 19.77 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.513 -0.767 . . . . 25.0 111.731 -178.142 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 36.6 mt -87.52 -36.95 17.32 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.965 0.412 . . . . 25.0 110.923 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 47.7 t -83.13 91.95 7.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.122 -0.944 . . . . 25.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.53 91.21 2.47 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 79.5 mt -102.28 -46.43 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.446 -0.797 . . . . 25.0 111.718 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 43.4 t 55.66 110.09 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.048 0.939 . . . . 25.0 112.575 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.99 -1.005 . . . . 25.0 110.885 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo . . . . . 0 N--CA 1.489 1.23 0 N-CA-C 111.86 -0.092 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -139.73 68.63 1.36 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.67 0.748 . . . . 25.0 110.181 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 58.9 m170 -94.26 -13.08 26.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.089 -0.96 . . . . 25.0 110.923 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 84.6 p -138.53 147.78 43.49 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.002 -0.545 . . . . 25.0 111.939 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -154.29 -112.44 0.46 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.066 -0.97 . . . . 25.0 111.729 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.23 127.96 10.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.641 0.376 . . . . 25.0 110.494 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.95 151.21 37.44 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.864 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 90.9 mt -109.82 141.03 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.507 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -148.67 115.42 5.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 12' ' ' VAL . 93.9 mt-10 61.87 52.34 3.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.562 0.745 . . . . 25.0 111.366 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt 55.56 3.47 0.08 Allowed 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.577 1.551 . . . . 25.0 114.258 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 10' ' ' GLU . 98.1 t -101.72 115.03 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 170.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.405 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -77.33 138.36 39.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.306 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -161.0 10.09 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.285 -0.87 . . . . 25.0 113.144 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.4 mt -123.74 139.67 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 114.97 -0.615 . . . . 25.0 109.513 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 4' ' ' SER . 8.2 tt -100.86 137.07 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.409 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.24 145.81 44.04 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.382 0.426 . . . . 25.0 111.266 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 96.7 mt -103.77 131.94 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.224 0.535 . . . . 25.0 110.265 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -100.69 106.15 17.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.67 -1.15 . . . . 25.0 111.19 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.73 167.77 12.57 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 72.17 2.72 4.42 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.89 0.876 . . . . 25.0 110.629 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 23' ' ' SER . 29.3 m -102.98 -172.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 114.677 -1.147 . . . . 25.0 110.336 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.3 p -73.39 159.76 84.06 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 171.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.96 129.82 2.9 Favored 'Trans proline' 0 C--N 1.374 1.882 0 CA-C-N 122.206 1.824 . . . . 25.0 113.692 -139.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.68 137.77 11.69 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.139 -1.392 . . . . 25.0 113.243 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 41' ' ' VAL . 9.4 mt-10 -124.47 172.09 9.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.566 -1.652 . . . . 25.0 111.195 -168.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.647 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.7 tp -125.76 109.98 13.2 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 172.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -110.01 110.34 21.23 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.167 -170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -85.49 134.11 34.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.478 -0.783 . . . . 25.0 109.57 170.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -128.3 156.89 42.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.776 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.4 p -68.02 168.34 12.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -56.74 -27.96 60.24 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.429 0.559 . . . . 25.0 112.359 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -99.95 -28.0 13.3 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.195 -0.457 . . . . 25.0 109.98 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.13 18.05 25.53 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.615 -0.721 . . . . 25.0 113.497 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -69.86 -29.73 67.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.594 0.358 . . . . 25.0 110.763 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 99.6 mttt -110.48 138.19 47.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.61 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.63 134.22 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-O 120.816 0.341 . . . . 25.0 111.781 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -127.75 145.99 50.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.381 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -129.32 129.19 44.52 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.03 0.443 . . . . 25.0 112.118 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.8 t -112.27 107.59 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.242 -0.89 . . . . 25.0 109.836 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.0 t -82.92 122.82 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.28 -23.45 57.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -170.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.459 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 94.8 p -67.38 -3.58 8.65 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.163 0.506 . . . . 25.0 110.922 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -114.93 4.33 14.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.889 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -113.31 141.97 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.297 -0.865 . . . . 25.0 109.587 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.25 -40.09 3.74 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.288 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 95.1 mttt -133.39 169.63 16.65 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -176.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.5 130.46 13.39 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.393 -0.821 . . . . 25.0 108.848 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 HE21 HD12 ' B' ' 546' ' ' LEU . 40.9 mt-30 -128.77 119.63 24.9 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.36 0.124 . . . . 25.0 110.865 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.0 149.69 34.98 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -67.65 120.0 70.14 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.359 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.12 164.13 5.38 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.732 2.288 . . . . 25.0 113.349 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.33 56.06 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.75 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.51 -9.91 26.25 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.606 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.42 138.19 37.53 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.883 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.2 mp0 -63.02 -15.61 57.03 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.204 -0.907 . . . . 25.0 111.938 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HD2' HD11 ' B' ' 545' ' ' LEU . 12.5 mttp -97.29 153.3 18.13 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.704 -1.134 . . . . 25.0 113.203 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.4 ' C ' ' HG3' ' A' ' 59' ' ' MET . 76.3 mtm -124.32 98.13 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.103 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.1 mtt -155.98 154.75 31.59 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.485 -175.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 40.8 tp -134.55 119.78 18.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.47 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.784 HH21 ' HB3' ' A' ' 86' ' ' ARG . 48.8 mtp180 -101.26 146.52 27.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.669 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -128.36 111.62 13.54 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.119 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 45' ' ' ILE . 49.6 mm -85.02 138.55 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 25.0 110.727 -174.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.12 157.25 24.04 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.183 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -80.05 117.26 20.72 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.451 0.643 . . . . 25.0 112.697 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG21 ' HA ' ' A' ' 84' ' ' PRO . 4.3 t -120.78 144.25 30.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 114.471 -1.24 . . . . 25.0 110.363 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -90.78 107.4 19.16 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.339 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -85.98 -1.35 57.25 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.6 p -77.95 -4.33 46.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.638 0.375 . . . . 25.0 111.751 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -92.2 34.36 1.03 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.296 0.638 . . . . 25.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -46.18 127.0 8.31 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.436 1.094 . . . . 25.0 113.294 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -107.71 151.78 25.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.972 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.13 143.67 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.284 0.365 . . . . 25.0 110.413 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -82.5 -169.46 2.46 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.765 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.37 -31.71 64.07 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.77 -21.1 21.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.5 17.57 13.33 Favored Glycine 0 C--N 1.342 0.875 0 C-N-CA 121.402 -0.428 . . . . 25.0 113.435 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -87.83 145.92 25.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 81' ' ' VAL . 29.2 tt0 -72.93 114.8 11.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 25.0 111.353 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 100.76 11.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 115.108 -0.951 . . . . 25.0 109.003 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.0 t -93.44 127.85 44.77 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.566 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -64.58 129.25 23.17 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.91 2.407 . . . . 25.0 112.236 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.73 149.53 36.57 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.347 -0.842 . . . . 25.0 112.696 -170.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -69.24 153.07 71.87 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 123.118 2.545 . . . . 25.0 113.862 176.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -91.99 152.15 20.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.102 -0.954 . . . . 25.0 111.529 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.784 ' HB3' HH21 ' A' ' 61' ' ' ARG . 0.0 OUTLIER -109.46 153.47 24.0 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.342 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 94.0 m-70 -125.21 110.63 14.3 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 173.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 39.2 ttm -108.69 136.87 47.56 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.453 0.644 . . . . 25.0 111.944 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -117.92 165.72 13.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.187 -1.369 . . . . 25.0 108.794 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.864 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 70.1 m -117.94 145.23 44.84 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.917 0.389 . . . . 25.0 110.534 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.1 m-85 -128.71 175.56 8.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.053 -173.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.19 -13.96 7.12 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.958 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -143.28 143.54 31.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.652 0.381 . . . . 25.0 110.843 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -80.97 -18.68 46.14 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.2 p -77.93 -19.41 54.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.086 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.49 -62.13 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.75 -40.16 19.8 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.55 -25.25 63.01 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.464 0.478 . . . . 25.0 111.756 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.29 -32.94 19.42 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.536 0.522 . . . . 25.0 112.1 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.13 -53.2 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -52.78 -42.61 65.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.949 0.9 . . . . 25.0 111.963 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.2 ttp -52.14 -54.3 32.25 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.273 0.629 . . . . 25.0 111.777 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.9 m -59.96 -57.24 13.72 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 62' ' ' LEU . 95.8 mt -43.47 -58.63 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.134 0.974 . . . . 25.0 111.043 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -50.32 -32.74 17.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.069 0.948 . . . . 25.0 113.232 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -82.28 -20.33 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.185 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.618 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.0 mt -83.94 -41.29 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.332 0.653 . . . . 25.0 111.668 177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.562 HG13 HD13 ' A' ' 42' ' ' LEU . 58.4 mt -69.86 -35.6 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 120.495 0.188 . . . . 25.0 110.805 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -63.92 -18.31 64.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.773 -0.648 . . . . 25.0 111.756 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.5 mtt180 -77.3 -40.62 43.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.72 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 72.6 m-85 -86.04 -0.82 56.49 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.308 176.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -91.15 -29.89 17.01 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.31 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -88.59 -34.39 17.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.22 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.64 88.84 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.014 0.925 . . . . 25.0 112.557 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 t0 . . . . . 0 C--O 1.253 1.281 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.812 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.489 -0.244 . . . . 25.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.4 t -112.45 126.37 28.47 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-O 119.543 -0.265 . . . . 25.0 110.77 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.49 135.37 20.02 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.343 2.029 . . . . 25.0 113.408 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 143.75 -123.83 2.13 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.987 -0.551 . . . . 25.0 112.74 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -123.02 86.62 50.99 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.98 11.81 1.35 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.767 2.312 . . . . 25.0 114.105 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 65.08 165.62 0.16 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.899 0.88 . . . . 25.0 111.882 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -91.74 59.88 2.85 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 116.052 -0.522 . . . . 25.0 112.836 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 86.8 mt -126.71 119.54 27.2 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 87.7 mt -115.5 -4.67 12.26 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.928 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 33.8 t -165.53 -53.86 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.256 -0.883 . . . . 25.0 110.044 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 68.0 71.24 0.98 Allowed Glycine 0 C--N 1.346 1.113 0 O-C-N 123.22 0.325 . . . . 25.0 113.098 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -134.04 -3.02 2.84 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -106.32 -9.78 16.65 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.087 0.47 . . . . 25.0 111.909 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -116.74 -28.4 6.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.955 -1.02 . . . . 25.0 110.904 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.425 ' HD2' HD11 ' B' ' 537' ' ' ILE . 96.7 m-85 -91.03 -1.29 57.83 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.098 -0.501 . . . . 25.0 112.104 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.9 p -80.89 -4.19 53.96 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.698 0.285 . . . . 25.0 111.519 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -87.31 -35.94 18.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.841 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . 0.425 HD11 ' HD2' ' B' ' 534' ' ' PHE . 43.8 pt -90.74 -20.31 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.884 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -83.13 10.0 9.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.326 0.584 . . . . 25.0 111.59 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.634 ' OD1' ' HD3' ' A' ' 86' ' ' ARG . 57.9 m-20 -92.91 -29.05 16.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.952 -1.022 . . . . 25.0 109.461 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.6 mmm -75.73 -18.18 59.66 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.841 169.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -74.44 -32.2 62.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.972 -1.013 . . . . 25.0 112.667 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.35 -21.46 45.8 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.318 0.858 . . . . 25.0 113.318 -171.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.6 p -83.34 -16.89 44.37 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.744 0.275 . . . . 25.0 111.744 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.65 25.37 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.921 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.531 HD11 ' HD2' ' A' ' 57' ' ' LYS . 85.4 mt -86.53 -35.74 19.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.535 0.568 . . . . 25.0 112.535 -177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.42 HD12 HE21 ' A' ' 49' ' ' GLN . 73.1 mt -80.22 -24.99 39.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.875 0.369 . . . . 25.0 110.803 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 85.1 p -91.86 -57.25 2.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.321 -0.854 . . . . 25.0 110.801 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 53.18 100.03 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.948 0.899 . . . . 25.0 112.834 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 60.4 mt -131.99 142.8 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.319 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 63.3 m 68.67 -58.13 0.49 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.579 1.152 . . . . 25.0 112.595 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.908 -1.044 . . . . 25.0 110.996 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 1.535 ' CD ' ' CG ' ' A' ' 1' ' ' PRO . 70.9 Cg_exo . . . . . 0 N--CA 1.486 1.069 0 N-CA-C 111.27 -0.319 . . . . 25.0 111.27 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 4' ' ' SER . 36.0 p -121.69 -36.3 3.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.784 -0.643 . . . . 25.0 111.531 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.618 ' HD2' HG21 ' A' ' 103' ' ' THR . 63.3 m80 69.78 -31.66 0.22 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.406 1.082 . . . . 25.0 112.604 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -131.61 142.07 49.8 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.925 0.393 . . . . 25.0 111.026 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 -113.98 0.66 Allowed Glycine 0 C--N 1.335 0.48 0 CA-C-N 115.247 -0.888 . . . . 25.0 111.959 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.99 125.33 9.44 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.694 0.398 . . . . 25.0 110.303 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.59 151.89 40.73 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.315 0.487 . . . . 25.0 112.315 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -110.27 138.19 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.305 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -140.87 116.28 10.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.841 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 62.68 42.31 8.39 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.908 0.883 . . . . 25.0 112.06 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm 70.07 -5.96 1.19 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.71 1.204 . . . . 25.0 113.928 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' HE2' ' A' ' 36' ' ' LYS . 78.6 t -95.21 116.96 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.7 t -79.22 137.86 37.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.439 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.53 -158.75 8.84 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.254 -0.885 . . . . 25.0 113.108 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -125.87 138.49 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.63 137.71 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.551 -178.118 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.46 139.71 40.78 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.368 0.417 . . . . 25.0 111.304 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.7 mt -97.55 132.71 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.031 0.443 . . . . 25.0 110.13 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -101.62 105.1 15.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.052 -0.976 . . . . 25.0 111.248 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.97 167.91 12.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.309 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 72.13 2.64 4.39 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 123.74 0.816 . . . . 25.0 111.65 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.91 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.031 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -73.5 165.84 49.36 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.39 129.08 3.42 Favored 'Trans proline' 0 C--N 1.376 1.998 0 CA-C-N 122.46 1.914 . . . . 25.0 113.228 -142.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.46 141.0 16.56 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.3 -1.318 . . . . 25.0 113.008 -165.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -125.54 172.06 10.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.767 -1.56 . . . . 25.0 111.225 -167.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD23 ' CD1' ' A' ' 62' ' ' LEU . 48.4 tp -127.19 107.73 10.27 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 173.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -107.97 109.6 21.12 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.165 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.563 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 86.4 t90 -85.85 133.5 33.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.624 171.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -126.68 157.27 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.565 -0.743 . . . . 25.0 109.73 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.6 p -67.8 169.32 9.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -57.0 -28.24 62.26 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -99.99 -28.74 12.92 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.963 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.22 18.25 24.73 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.618 -0.719 . . . . 25.0 113.647 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' OG ' ' A' ' 31' ' ' SER . 12.8 p-10 -70.61 -30.91 67.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.536 0.334 . . . . 25.0 110.615 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.6 mttp -105.22 137.67 42.63 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.51 134.05 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-O 120.786 0.327 . . . . 25.0 111.76 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -128.75 146.45 50.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.651 -0.704 . . . . 25.0 109.566 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.01 127.29 41.32 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.892 0.377 . . . . 25.0 111.834 -175.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.6 t -110.97 107.66 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.347 -0.842 . . . . 25.0 110.106 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.8 t -82.05 122.63 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.31 -23.27 59.04 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -171.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.9 p -66.83 -10.87 52.56 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.849 0.357 . . . . 25.0 111.364 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -115.2 13.52 16.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.699 173.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' ILE . 25.3 mm -109.6 142.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.402 -0.817 . . . . 25.0 108.801 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.54 -48.69 2.99 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.284 0.365 . . . . 25.0 111.673 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.9 mttt -131.67 170.11 15.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 122.565 0.346 . . . . 25.0 110.794 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 104' ' ' LEU . 61.7 mt -146.72 132.6 19.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' CD ' HD12 ' B' ' 546' ' ' LEU . 29.9 mt-30 -129.57 114.37 15.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.83 0.308 . . . . 25.0 111.83 -176.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.2 156.0 26.15 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.884 HG21 ' HA ' ' A' ' 58' ' ' MET . 10.4 t -71.22 123.78 89.91 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 123.242 0.617 . . . . 25.0 111.693 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 42.3 Cg_exo -59.22 164.63 10.24 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.728 2.285 . . . . 25.0 113.066 174.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.98 58.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.998 -0.546 . . . . 25.0 112.032 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -94.52 -17.41 22.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.092 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 44.5 t -72.15 140.27 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.64 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.656 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.16 -16.99 64.11 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.012 -0.995 . . . . 25.0 111.87 176.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -95.46 156.56 16.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.904 -172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.884 ' HA ' HG21 ' A' ' 51' ' ' THR . 71.7 mtm -128.33 98.18 4.98 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.059 -0.973 . . . . 25.0 109.046 169.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.544 ' H ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -156.54 155.21 31.54 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.524 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.76 118.43 14.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.047 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.688 ' HD2' ' HB3' ' A' ' 86' ' ' ARG . 53.3 ttp180 -104.21 142.46 34.48 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.291 0.567 . . . . 25.0 111.798 -176.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 27' ' ' LEU . 13.7 mt -121.12 105.73 10.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' HG2' ' A' ' 86' ' ' ARG . 81.6 mt -86.15 135.97 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.891 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.52 165.59 26.16 Favored Glycine 0 C--N 1.336 0.535 0 CA-C-N 115.728 -0.669 . . . . 25.0 113.746 -173.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -87.07 132.22 33.89 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.92 0.488 . . . . 25.0 110.915 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.53 132.08 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.001 -0.545 . . . . 25.0 111.408 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.33 91.89 3.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 169.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -85.38 -1.55 57.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 -174.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -75.46 -7.23 53.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.811 0.339 . . . . 25.0 111.705 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.57 36.1 1.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.713 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -45.39 122.24 3.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.086 0.955 . . . . 25.0 112.854 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -103.1 154.11 19.62 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.853 -1.067 . . . . 25.0 109.905 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.74 146.73 50.11 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.272 0.357 . . . . 25.0 110.11 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -88.22 -168.56 2.25 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.782 -0.645 . . . . 25.0 111.784 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.2 -31.72 65.74 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -91.28 -22.13 20.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.61 25.0 7.11 Favored Glycine 0 C--N 1.34 0.767 0 C-N-CA 121.525 -0.369 . . . . 25.0 113.3 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -93.35 145.65 24.31 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.6 tt0 -72.49 112.25 8.38 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.051 0.453 . . . . 25.0 111.356 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.48 101.15 12.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.107 -0.952 . . . . 25.0 109.306 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.6 t -91.59 127.93 48.5 Favored Pre-proline 0 CA--C 1.551 1.01 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.524 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.69 133.69 46.64 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.089 2.526 . . . . 25.0 113.504 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.6 mttt -94.87 164.1 20.42 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 114.607 -1.179 . . . . 25.0 111.507 -177.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.1 Cg_endo -63.84 149.56 90.41 Favored 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.717 2.278 . . . . 25.0 114.085 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -93.82 131.21 39.42 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.753 -1.112 . . . . 25.0 110.724 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.688 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 50.5 mtt180 -119.71 124.62 46.68 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.389 -176.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 20.9 m-70 -106.67 112.83 25.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.14 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 43.5 mtt -99.9 141.13 33.12 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.965 0.412 . . . . 25.0 111.275 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' TRP . 67.5 m-85 -132.83 127.23 34.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.4 -0.818 . . . . 25.0 109.702 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 75.8 m -83.5 145.01 29.16 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.858 0.361 . . . . 25.0 111.244 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -128.66 175.9 8.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.856 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -123.33 -14.2 7.48 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.619 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -143.54 143.63 31.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.789 0.436 . . . . 25.0 110.944 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.9 mmt180 -79.39 -18.35 52.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.592 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.79 -21.54 54.99 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.227 0.329 . . . . 25.0 111.153 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.99 -62.5 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.2 ptp -47.01 -39.93 13.56 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 102' ' ' MET . 87.6 m-20 -71.46 -24.85 62.08 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.562 0.539 . . . . 25.0 111.753 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.17 -33.87 19.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.793 0.437 . . . . 25.0 112.028 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.0 mm -68.33 -54.43 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 104' ' ' LEU . 87.9 tttt -53.55 -41.35 66.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.129 0.972 . . . . 25.0 112.289 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 54.4 ttm -54.41 -51.77 63.85 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.49 0.494 . . . . 25.0 111.52 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.618 HG21 ' HD2' ' A' ' 3' ' ' HIS . 98.9 m -60.48 -58.57 7.93 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 75.3 mt -43.77 -59.33 2.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.065 0.946 . . . . 25.0 110.969 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -49.21 -32.88 11.3 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.97 -20.33 33.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.038 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.84 -43.32 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.263 0.625 . . . . 25.0 111.604 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.2 mt -70.34 -36.45 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.108 0.163 . . . . 25.0 110.964 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.9 p -63.44 -17.49 62.74 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.684 0.615 . . . . 25.0 112.132 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -78.62 -43.66 25.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.335 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.42 -1.03 39.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.383 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 6.2 mmtp -91.21 -33.61 15.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.289 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.46 -32.76 20.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.36 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.18 87.4 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.91 0.884 . . . . 25.0 112.473 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 117.981 -1.009 . . . . 25.0 110.939 179.346 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 CA-C-O 120.157 -0.246 . . . . 25.0 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 46.8 t 53.78 111.08 0.02 OUTLIER Pre-proline 0 N--CA 1.486 1.342 0 C-N-CA 124.59 1.156 . . . . 25.0 112.765 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.74 139.52 25.11 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.27 1.98 . . . . 25.0 113.343 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 142.55 147.1 4.73 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.723 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.26 102.13 30.96 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 122.377 0.271 . . . . 25.0 110.906 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.84 -23.09 41.88 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.618 2.212 . . . . 25.0 113.524 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -98.16 137.8 36.39 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.322 0.389 . . . . 25.0 111.572 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -156.54 114.58 0.62 Allowed Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.74 -0.663 . . . . 25.0 112.474 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.0 mt -114.68 21.8 14.13 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.671 0.272 . . . . 25.0 111.365 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.36 -1.23 5.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.312 -0.404 . . . . 25.0 111.546 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 41.5 t -154.49 94.87 1.74 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.688 -0.687 . . . . 25.0 109.71 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 166.7 -32.26 0.21 Allowed Glycine 0 C--N 1.336 0.561 0 CA-C-N 115.827 -0.624 . . . . 25.0 113.164 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -123.77 6.17 8.77 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.711 0.291 . . . . 25.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -117.4 8.91 13.17 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.162 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -113.72 8.87 17.62 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.465 -0.788 . . . . 25.0 111.701 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -78.51 -8.53 58.66 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.9 p -80.6 -3.63 51.1 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -86.89 -36.36 18.45 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.71 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 24.6 pt -91.09 -20.59 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.466 0.479 . . . . 25.0 110.998 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.07 10.47 14.2 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.34 0.591 . . . . 25.0 111.183 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.57 -32.73 12.69 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.981 -1.008 . . . . 25.0 109.756 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.0 mmm -71.82 -15.71 62.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.762 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -77.72 -36.65 50.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.945 -1.025 . . . . 25.0 112.723 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -84.17 -28.48 27.35 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.6 p -70.08 -27.55 64.7 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.12 -14.53 31.03 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.282 0.364 . . . . 25.0 111.531 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.74 -24.23 23.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.127 -0.488 . . . . 25.0 112.183 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.403 HD12 ' CD ' ' A' ' 49' ' ' GLN . 12.8 mt -96.18 -28.25 14.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.894 0.378 . . . . 25.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 81.0 p -89.11 -42.58 11.61 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.173 -0.921 . . . . 25.0 110.878 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 48.34 95.26 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.429 1.092 . . . . 25.0 112.623 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 93.9 mt -115.93 121.43 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.675 -0.693 . . . . 25.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 31.1 t -119.52 133.97 55.44 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.585 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 117.976 -1.011 . . . . 25.0 111.888 -179.409 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo . . . . . 0 N--CA 1.488 1.174 0 N-CA-C 111.422 -0.261 . . . . 25.0 111.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -138.8 130.19 27.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.708 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -86.66 -4.57 59.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.523 -0.762 . . . . 25.0 111.397 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.3 p -146.24 157.11 43.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.727 -172.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -164.05 -119.34 0.48 Allowed Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.958 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.72 127.18 15.96 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.583 0.353 . . . . 25.0 110.634 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -142.88 153.63 43.33 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 13' ' ' SER . 84.2 mt -111.85 139.2 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 115.884 -0.598 . . . . 25.0 109.402 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -144.72 122.4 11.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 62.9 38.63 11.18 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.73 0.812 . . . . 25.0 112.122 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm 68.72 -5.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.588 1.155 . . . . 25.0 113.444 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.592 HG11 ' HD2' ' A' ' 36' ' ' LYS . 72.2 t -93.63 118.75 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 173.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -79.87 136.88 36.78 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.184 -176.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.71 -157.2 7.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.166 -0.925 . . . . 25.0 113.277 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 5' ' ' GLY . 84.2 mt -126.84 137.15 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.913 -0.643 . . . . 25.0 109.64 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.75 133.93 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.512 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 139.08 41.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.905 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.33 130.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 122.118 0.961 . . . . 25.0 111.302 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.88 105.93 17.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 112.923 -1.944 . . . . 25.0 112.089 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -126.47 168.23 14.52 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.564 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 73.57 0.97 3.81 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.164 0.986 . . . . 25.0 110.743 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.35 -171.44 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 114.717 -1.128 . . . . 25.0 110.136 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -72.8 162.65 73.31 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 172.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -41.27 128.77 3.22 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 121.933 1.726 . . . . 25.0 113.194 -139.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.42 135.14 18.15 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.093 -1.412 . . . . 25.0 113.029 -166.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.2 mt-10 -121.44 171.66 8.62 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.411 -1.722 . . . . 25.0 110.97 -169.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 38.3 tp -126.3 111.16 14.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 174.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -108.12 111.15 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.323 -171.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -85.4 140.04 31.07 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.43 169.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 88.5 mtm180 -133.68 159.61 40.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.951 -1.022 . . . . 25.0 109.27 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 89.6 p -77.9 165.09 24.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.16 -0.448 . . . . 25.0 109.794 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.8 m -54.92 -31.85 60.59 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -97.07 -29.57 13.55 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.212 -0.449 . . . . 25.0 109.912 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.3 17.92 18.5 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.636 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.7 p-10 -69.47 -24.97 63.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.69 0.396 . . . . 25.0 111.497 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.592 ' HD2' HG11 ' A' ' 12' ' ' VAL . 16.7 mttp -116.51 138.79 51.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.944 -0.571 . . . . 25.0 109.802 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.21 125.92 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 CA-C-N 116.453 -0.339 . . . . 25.0 111.081 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -120.31 147.36 45.11 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.719 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.55 130.47 45.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.986 0.422 . . . . 25.0 112.042 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 76.5 t -114.44 107.54 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.329 -0.851 . . . . 25.0 110.035 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.1 t -81.22 121.56 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -75.78 -23.12 55.89 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -171.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -67.71 -1.47 5.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.135 0.493 . . . . 25.0 111.005 174.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -115.01 0.1 13.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.144 -0.935 . . . . 25.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.5 mm -108.42 141.46 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.763 0.825 . . . . 25.0 109.841 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -107.83 -51.1 2.95 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.485 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.87 170.24 15.15 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.801 0.44 . . . . 25.0 110.519 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.96 133.99 20.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HG2' ' HD2' ' B' ' 542' ' ' PHE . 7.3 tt0 -131.19 121.41 24.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.484 0.183 . . . . 25.0 111.184 -177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.57 153.33 30.29 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -67.95 121.71 80.9 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.956 -0.566 . . . . 25.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.33 162.62 5.68 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.8 2.334 . . . . 25.0 113.247 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.57 -8.99 58.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.804 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -93.52 -17.11 23.76 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.863 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -74.06 136.84 43.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.713 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -60.09 -25.0 65.08 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.746 -1.116 . . . . 25.0 111.937 175.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' B' ' 541' ' ' ASP . 92.0 mttt -85.47 152.77 22.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.248 -1.342 . . . . 25.0 113.268 -172.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -124.64 97.93 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.909 -1.041 . . . . 25.0 108.97 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.522 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 89.3 mtp -155.84 153.97 30.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.484 -175.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 6.6 tp -133.72 119.78 19.75 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.285 -0.87 . . . . 25.0 109.284 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 86' ' ' ARG . 47.0 ttp180 -100.63 145.83 27.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.169 0.509 . . . . 25.0 111.715 -176.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.4 mm? -125.97 102.5 7.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.939 -1.028 . . . . 25.0 109.847 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG12 ' HG2' ' A' ' 86' ' ' ARG . 34.9 mt -85.3 133.19 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.781 -175.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.0 168.8 29.01 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.732 -0.667 . . . . 25.0 113.998 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -84.98 134.89 34.22 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.004 -0.598 . . . . 25.0 110.857 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.9 t -93.32 133.41 34.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.421 -172.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -105.11 86.41 2.43 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.005 -0.998 . . . . 25.0 109.267 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -86.56 -2.07 58.17 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.815 -0.63 . . . . 25.0 112.217 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.17 -14.65 60.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.857 0.361 . . . . 25.0 111.672 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -96.7 40.49 1.13 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.776 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -44.64 118.34 1.55 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.469 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 35.0 mtp-105 -102.9 152.11 21.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.717 -1.129 . . . . 25.0 110.262 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -126.37 144.12 50.93 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.129 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -84.71 -169.03 2.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.911 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.81 -31.55 64.81 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.98 -23.94 21.39 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 18.42 10.36 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 121.517 -0.373 . . . . 25.0 113.335 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -89.04 148.47 23.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.478 0.311 . . . . 25.0 110.234 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -72.25 116.03 12.2 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.092 0.472 . . . . 25.0 111.624 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 60.9 t -118.65 100.74 10.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.05 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 91.4 t -91.24 128.28 47.88 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.31 -172.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.88 132.74 46.62 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 123.062 2.508 . . . . 25.0 113.209 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.1 mttt -94.55 165.28 17.68 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.455 -175.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -65.4 148.0 87.72 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.551 2.168 . . . . 25.0 113.71 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.605 HE21 ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -93.58 128.42 39.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.857 -1.065 . . . . 25.0 110.743 178.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HG12 ' A' ' 63' ' ' ILE . 94.3 mtt180 -116.46 114.84 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.498 -0.774 . . . . 25.0 110.567 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 98.0 m-70 -96.99 112.38 24.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.476 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 61.5 mtp -105.89 135.94 46.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.371 0.605 . . . . 25.0 111.321 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -115.73 165.63 12.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.497 -1.229 . . . . 25.0 108.977 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 145.45 45.13 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.722 0.296 . . . . 25.0 110.459 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 9.2 m-85 -129.11 175.7 8.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.793 -0.639 . . . . 25.0 112.126 -172.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -123.27 -15.75 7.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.046 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.77 143.68 32.3 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.788 0.435 . . . . 25.0 110.91 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -18.24 50.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.0 p -76.54 -19.21 58.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.276 0.36 . . . . 25.0 111.132 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.03 -62.88 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.5 ptp -47.04 -39.3 12.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' MET . 96.0 m-20 -70.46 -26.36 63.6 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.443 0.464 . . . . 25.0 111.744 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.08 -31.05 20.68 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 25.0 112.123 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.81 -53.59 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 172.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.0 tttt -51.64 -44.28 62.91 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.073 0.949 . . . . 25.0 111.906 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 48.7 ttm -53.47 -52.42 59.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.234 0.614 . . . . 25.0 111.534 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -59.26 -59.58 5.24 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.35 0.406 . . . . 25.0 110.085 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 62' ' ' LEU . 80.5 mt -43.86 -57.54 3.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.357 1.063 . . . . 25.0 111.218 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -50.98 -32.98 22.78 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.329 1.052 . . . . 25.0 113.362 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -81.2 -19.98 42.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.125 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.679 ' HB ' HD12 ' A' ' 42' ' ' LEU . 97.9 mt -81.91 -42.72 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 123.366 0.666 . . . . 25.0 111.703 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -72.24 -35.96 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 122.099 0.159 . . . . 25.0 111.138 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.576 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 85.6 p -62.71 -17.06 60.08 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.608 0.567 . . . . 25.0 111.875 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.75 -42.31 24.83 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.596 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -81.73 0.16 40.25 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.705 -0.68 . . . . 25.0 111.43 175.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.2 mmtp -94.17 -29.55 15.07 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.278 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -90.49 -32.36 16.4 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.208 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.53 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.978 0.911 . . . . 25.0 112.549 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.978 -1.01 . . . . 25.0 110.351 179.082 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.465 -0.254 . . . . 25.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.1 t -103.59 130.98 22.5 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 122.327 0.251 . . . . 25.0 110.871 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.57 -12.26 26.82 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.573 2.182 . . . . 25.0 114.123 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -108.98 76.75 0.22 Allowed Glycine 0 C--N 1.34 0.777 0 O-C-N 123.374 0.421 . . . . 25.0 112.589 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 57.07 92.25 0.06 OUTLIER Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 123.925 0.89 . . . . 25.0 112.138 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.33 -31.28 35.41 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.703 2.268 . . . . 25.0 113.438 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -103.9 143.46 32.82 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.334 0.397 . . . . 25.0 111.179 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -103.87 168.0 16.7 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.772 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 94.7 mt -105.48 -46.86 4.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.171 0.51 . . . . 25.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.07 -11.58 35.42 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 29.6 t -137.82 80.47 1.8 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.002 -0.999 . . . . 25.0 109.687 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -152.11 -79.77 0.03 OUTLIER Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.551 -0.75 . . . . 25.0 112.874 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -115.45 -3.81 12.37 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.868 0.366 . . . . 25.0 111.425 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -102.66 11.21 38.04 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.512 -0.767 . . . . 25.0 112.213 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -92.83 -37.31 12.37 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.351 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.67 -3.67 27.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.0 p -88.47 -13.98 39.0 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.617 -0.265 . . . . 25.0 111.278 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 96.8 p -74.14 -34.22 63.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.923 0.489 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 50.6 pt -84.38 -14.75 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.334 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -89.22 8.57 29.58 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.413 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -93.12 -30.99 14.97 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.497 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.0 mmm -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.888 -0.597 . . . . 25.0 111.37 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.477 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 99.5 m-20 -79.8 -28.39 40.23 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.265 -0.879 . . . . 25.0 112.36 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.559 ' HD2' ' HG2' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -84.64 -29.03 26.05 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.794 0.665 . . . . 25.0 112.794 -173.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.9 p -76.77 -29.07 55.92 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.83 -7.15 53.12 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 123.216 0.323 . . . . 25.0 111.106 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 13.1 tp -87.51 -27.55 22.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.766 -0.652 . . . . 25.0 112.052 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 25.4 tp -87.03 -31.21 20.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.016 0.436 . . . . 25.0 110.824 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -85.62 -46.03 11.16 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.423 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 53.41 101.77 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.235 1.014 . . . . 25.0 112.312 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.2 mt -95.59 114.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.554 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 39.4 t -122.49 132.98 54.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.522 -0.763 . . . . 25.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.486 1.34 0 C-N-CA 124.315 1.046 . . . . 25.0 112.669 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.489 1.228 0 N-CA-C 111.409 -0.266 . . . . 25.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -122.62 -39.18 2.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.401 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.584 ' CD2' HG21 ' A' ' 103' ' ' THR . 70.9 m80 69.65 -31.24 0.21 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.496 1.118 . . . . 25.0 113.059 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -133.45 143.35 48.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.882 0.373 . . . . 25.0 111.31 -178.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -115.36 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.284 -0.871 . . . . 25.0 112.016 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.71 127.53 13.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.629 0.372 . . . . 25.0 110.621 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.54 152.74 41.82 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.79 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.8 mt -111.54 139.25 36.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.688 -0.687 . . . . 25.0 109.217 176.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -142.18 115.93 9.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.692 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 60.94 46.24 8.7 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.929 0.871 . . . . 25.0 111.728 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 68.22 -5.42 0.9 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.638 173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.441 HG11 ' HD2' ' A' ' 36' ' ' LYS . 42.0 t -95.47 119.7 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HA ' HG12 ' A' ' 8' ' ' ILE . 12.4 t -80.81 136.56 36.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.433 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.51 -159.76 9.08 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.086 -0.961 . . . . 25.0 113.106 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.66 137.76 56.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.1 tt -100.68 137.45 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.543 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.38 141.88 41.74 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.464 0.477 . . . . 25.0 111.271 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.7 mt -101.11 132.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.111 0.482 . . . . 25.0 110.319 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.64 107.94 19.34 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.043 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.16 167.69 12.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.15 4.35 4.8 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.659 0.784 . . . . 25.0 111.832 -172.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -101.81 -172.34 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 114.305 -1.316 . . . . 25.0 110.211 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.53 158.51 86.33 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 105.358 -2.09 . . . . 25.0 105.358 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -40.39 130.15 2.44 Favored 'Trans proline' 0 C--N 1.374 1.889 0 CA-C-N 122.064 1.773 . . . . 25.0 113.981 -139.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.56 137.71 8.72 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.96 -1.473 . . . . 25.0 113.36 -168.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG2' HG22 ' A' ' 41' ' ' VAL . 15.8 mt-10 -123.35 172.08 8.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 113.508 -1.678 . . . . 25.0 111.14 -168.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 35.6 tp -128.7 106.12 8.73 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -106.57 112.09 24.93 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.26 -171.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -87.52 131.69 34.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.487 -0.778 . . . . 25.0 109.524 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 37' ' ' VAL . 89.3 mtm180 -126.6 156.72 40.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.484 -0.78 . . . . 25.0 109.645 174.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 90.6 p -66.77 169.29 8.17 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 119.378 -0.344 . . . . 25.0 110.232 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -29.69 59.59 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.8 -31.04 11.72 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.164 -0.471 . . . . 25.0 109.923 170.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.92 18.28 12.72 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.703 -0.681 . . . . 25.0 113.834 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.9 p-10 -70.09 -31.28 68.78 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 122.531 0.333 . . . . 25.0 110.838 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 62.4 mttp -104.65 137.54 42.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.522 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -145.32 135.27 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 N-CA-C 111.977 0.362 . . . . 25.0 111.977 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -130.24 146.33 51.85 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.392 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.04 127.97 42.66 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.784 0.326 . . . . 25.0 111.811 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.2 t -112.13 107.4 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.124 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -81.89 121.13 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.765 HD11 HD22 ' A' ' 104' ' ' LEU . 3.4 mm? -75.37 -20.59 58.89 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -171.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.2 -3.5 13.9 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.225 0.536 . . . . 25.0 110.561 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -115.53 2.32 13.8 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.878 -1.056 . . . . 25.0 110.376 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -109.42 142.43 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.645 0.778 . . . . 25.0 109.699 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -110.19 -46.25 3.47 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.022 -0.536 . . . . 25.0 111.699 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.1 mttt -133.21 174.34 10.49 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.958 0.409 . . . . 25.0 111.866 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.53 129.74 12.77 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -125.78 116.51 21.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.479 0.18 . . . . 25.0 110.79 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.19 150.77 29.04 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -69.76 121.58 83.05 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 123.024 0.53 . . . . 25.0 111.279 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.51 162.63 6.01 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.821 2.348 . . . . 25.0 113.294 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.731 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.03 -9.67 58.71 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.925 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p -95.6 -18.06 20.87 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.196 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -71.57 139.29 49.36 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.305 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.694 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -63.16 -15.74 57.82 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.015 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 541' ' ' ASP . 73.6 mttt -98.15 153.64 18.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.161 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.9 mtt -125.92 98.64 5.6 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.13 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.53 ' HB2' ' HZ ' ' B' ' 542' ' ' PHE . 61.1 mtt -156.03 157.03 35.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.365 -174.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HB3' ' HE1' ' A' ' 91' ' ' PHE . 13.8 tp -136.68 118.39 15.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.339 -0.846 . . . . 25.0 108.986 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HD2' ' CD1' ' B' ' 542' ' ' PHE . 64.9 mtp85 -101.32 145.2 29.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.116 0.484 . . . . 25.0 111.789 -176.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.3 mm? -128.07 106.26 8.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.994 -1.003 . . . . 25.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.604 HG12 ' HG2' ' A' ' 86' ' ' ARG . 82.2 mt -86.77 138.08 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -175.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.06 165.2 32.82 Favored Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.035 -0.529 . . . . 25.0 113.52 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -85.61 113.98 22.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.598 0.713 . . . . 25.0 112.536 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.551 HG21 ' HA ' ' A' ' 84' ' ' PRO . 2.3 t -122.31 151.7 26.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 114.281 -1.327 . . . . 25.0 110.886 -179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -89.04 102.13 14.78 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.164 -0.926 . . . . 25.0 109.895 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.84 -1.54 57.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.695 -0.684 . . . . 25.0 112.277 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -83.66 -15.82 47.44 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -84.11 35.01 0.52 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.506 0.722 . . . . 25.0 111.248 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -45.76 125.52 6.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.043 0.937 . . . . 25.0 113.272 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -98.49 150.31 21.8 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.518 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.72 143.2 51.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.104 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -85.05 -168.95 2.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.652 -0.703 . . . . 25.0 111.754 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.86 -31.76 65.13 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.95 -19.62 22.24 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.141 0.423 . . . . 25.0 112.141 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.24 18.89 12.35 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.427 -0.416 . . . . 25.0 113.384 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -86.56 145.92 26.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 81' ' ' VAL . 47.4 tt0 -74.6 113.8 12.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.186 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.51 101.03 11.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.213 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 84.7 t -94.14 127.66 43.95 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.848 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -63.55 131.53 32.01 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.914 2.41 . . . . 25.0 112.347 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.64 151.31 39.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.67 -170.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HA ' HG21 ' A' ' 66' ' ' VAL . 95.9 Cg_endo -75.83 162.64 34.72 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.008 2.472 . . . . 25.0 113.799 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -91.0 132.38 36.02 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.08 -0.964 . . . . 25.0 110.765 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 63' ' ' ILE . 85.8 mtt85 -116.48 130.8 56.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.641 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.3 m-70 -106.88 112.77 25.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.688 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 66.2 ttp -102.08 140.31 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.087 -0.506 . . . . 25.0 110.933 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 59' ' ' MET . 90.9 m-85 -131.68 130.4 41.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.802 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.79 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 40.0 m -84.18 143.74 29.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.102 0.477 . . . . 25.0 111.301 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 23.7 m-85 -127.4 175.58 8.1 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.241 -0.89 . . . . 25.0 111.547 -173.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -123.82 -17.64 6.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.163 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.39 128.63 16.75 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.678 0.275 . . . . 25.0 110.839 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.731 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.1 ptm180 -61.4 -18.32 58.25 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -74.9 -27.07 60.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.623 0.369 . . . . 25.0 111.452 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -82.22 -63.06 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 14.3 ptp -47.23 -29.49 2.42 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.328 1.051 . . . . 25.0 113.542 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -78.84 -35.2 44.38 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.097 0.248 . . . . 25.0 111.111 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.29 -32.14 58.6 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.568 0.543 . . . . 25.0 112.216 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.91 -54.0 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 104' ' ' LEU . 88.1 tttt -51.52 -43.09 62.18 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.887 0.875 . . . . 25.0 112.051 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.49 -50.74 69.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.177 0.591 . . . . 25.0 111.544 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.584 HG21 ' CD2' ' A' ' 3' ' ' HIS . 99.0 m -62.16 -57.67 10.64 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.277 0.361 . . . . 25.0 110.119 176.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.765 HD22 HD11 ' A' ' 42' ' ' LEU . 75.9 mt -43.49 -59.39 2.17 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.947 0.899 . . . . 25.0 110.797 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.1 -30.68 11.57 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.23 1.012 . . . . 25.0 113.508 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.11 -20.67 28.34 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.2 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 97.0 mt -82.29 -42.27 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.288 0.635 . . . . 25.0 111.657 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -69.16 -35.9 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 117.802 0.274 . . . . 25.0 110.769 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.5 p -63.93 -16.84 62.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.759 0.662 . . . . 25.0 111.533 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -78.61 -40.64 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.256 -0.429 . . . . 25.0 110.638 172.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -86.64 -3.23 59.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.321 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 55.9 tptt -86.95 -28.55 22.64 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.934 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -94.36 -19.89 20.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.154 -0.93 . . . . 25.0 111.385 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.37 -7.2 59.08 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.016 -0.992 . . . . 25.0 110.407 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.458 -0.257 . . . . 25.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.2 t -103.23 129.97 24.51 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 25.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.12 135.37 22.8 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.225 1.95 . . . . 25.0 113.339 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 140.6 66.37 0.03 OUTLIER Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.872 -0.603 . . . . 25.0 112.69 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 57.0 93.93 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.226 0 C-N-CA 123.931 0.893 . . . . 25.0 112.176 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -66.72 143.6 68.35 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.662 2.241 . . . . 25.0 112.99 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.54 139.31 50.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.89 -0.596 . . . . 25.0 111.288 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -144.95 54.09 0.56 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.746 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 89.4 mt -120.11 -44.74 2.49 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.412 0.625 . . . . 25.0 110.366 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 66.7 mt -103.27 -17.41 15.33 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.364 -1.289 . . . . 25.0 109.968 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 41.5 p -116.65 37.67 3.7 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.123 -0.944 . . . . 25.0 110.839 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.79 -18.65 15.09 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.693 -0.685 . . . . 25.0 113.342 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.18 -3.19 9.03 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.931 0.396 . . . . 25.0 110.422 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -99.36 7.87 45.16 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.573 -0.739 . . . . 25.0 112.171 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -93.24 -20.57 20.3 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.164 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.71 -6.26 43.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.773 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.44 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 85.5 p -87.54 -8.2 56.63 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.547 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 94.8 p -80.43 -34.62 35.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.0 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.2 pt -84.56 -15.05 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.383 173.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -86.96 9.05 20.65 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.241 0.543 . . . . 25.0 111.472 175.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -91.03 -32.76 15.78 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.582 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.2 mmm -71.25 -22.39 61.98 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.218 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 98.3 m-20 -82.88 -33.81 26.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.366 -0.834 . . . . 25.0 112.055 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.611 ' CD1' ' HD2' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -84.99 -28.18 25.95 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -175.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -76.26 -17.6 59.39 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 -176.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.12 -13.63 32.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.792 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.54 -37.88 17.74 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.43 -35.95 68.46 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.11 0.481 . . . . 25.0 110.416 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.9 p -111.27 69.8 0.7 Allowed 'General case' 0 C--O 1.238 0.472 0 CA-C-N 114.878 -1.056 . . . . 25.0 109.132 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -94.42 69.32 3.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.131 -0.94 . . . . 25.0 110.527 -174.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 77.9 mt -106.09 118.08 53.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.327 -0.851 . . . . 25.0 109.844 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 75.0 m -118.9 137.99 53.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.724 -0.671 . . . . 25.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.091 -0.956 . . . . 25.0 110.661 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 N--CA 1.488 1.167 0 N-CA-C 111.797 -0.117 . . . . 25.0 111.797 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -141.51 68.45 1.33 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.65 0.738 . . . . 25.0 109.999 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 66.2 m170 -91.89 -13.35 31.42 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.104 -0.953 . . . . 25.0 111.292 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p -138.77 153.03 48.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.117 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -113.44 0.35 Allowed Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.415 -0.811 . . . . 25.0 111.956 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.1 128.35 12.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.614 0.366 . . . . 25.0 110.468 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.75 153.11 41.34 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -112.19 140.58 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.355 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -143.43 120.85 11.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.717 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 61.68 40.52 13.13 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.785 0.834 . . . . 25.0 112.086 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm 69.24 -3.98 1.41 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.59 1.156 . . . . 25.0 113.645 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.617 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.9 t -96.99 119.51 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -81.63 140.92 34.12 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.518 -175.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -157.2 -156.19 7.8 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.96 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.8 mt -126.55 139.34 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.037 -0.582 . . . . 25.0 109.66 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.66 136.84 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.392 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.596 0.56 . . . . 25.0 111.006 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 81.6 mt -100.14 140.98 17.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.99 0.9 . . . . 25.0 110.6 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 2.2 t-20 -109.66 100.09 9.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.166 -1.833 . . . . 25.0 110.76 -173.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.41 167.54 12.68 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 72.45 2.26 4.27 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.984 0.913 . . . . 25.0 110.589 -172.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.64 -173.25 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.666 -1.152 . . . . 25.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -74.63 160.32 81.29 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 170.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.04 130.05 4.39 Favored 'Trans proline' 0 C--N 1.376 2.008 0 CA-C-N 122.305 1.859 . . . . 25.0 113.549 -140.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -47.19 131.98 12.7 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 114.09 -1.414 . . . . 25.0 112.967 -167.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 26.3 pt-20 -128.35 140.58 51.78 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.025 -0.989 . . . . 25.0 113.172 -173.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 45.7 tp -96.82 104.95 17.0 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -176.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.8 m -104.18 109.45 21.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.22 -1.355 . . . . 25.0 111.294 -169.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 87.9 t90 -84.95 135.77 33.9 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.432 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 59.5 mtp180 -128.27 151.08 49.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 25.0 109.807 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.671 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.32 159.17 33.62 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.94 -0.573 . . . . 25.0 109.461 173.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.66 -20.56 5.49 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -101.14 -31.31 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.383 0.427 . . . . 25.0 110.783 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 17.27 31.34 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.57 -0.741 . . . . 25.0 113.077 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -76.07 -28.89 57.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 59.6 mttp -105.3 139.09 40.46 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.458 173.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.08 131.29 5.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-O 120.902 0.382 . . . . 25.0 111.816 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.612 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.1 m-70 -123.62 145.44 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.42 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 128.52 43.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 95.0 t -114.08 107.54 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.562 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -79.52 117.98 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 104' ' ' LEU . 2.3 mm? -75.86 -17.56 59.76 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -171.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -69.37 -3.99 16.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.152 0.501 . . . . 25.0 110.438 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.6 -1.56 12.71 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.728 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.0 mm -104.13 147.83 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.574 0.75 . . . . 25.0 109.962 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.95 -47.37 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.46 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 60.0 mttp -131.22 168.05 18.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.57 129.22 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.245 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.838 ' HG3' HH21 ' A' ' 61' ' ' ARG . 91.5 mm-40 -127.29 114.85 18.15 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -175.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.05 150.49 31.94 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 p -67.73 120.3 72.53 Favored Pre-proline 0 N--CA 1.477 0.906 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.183 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.67 159.84 6.2 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.868 2.379 . . . . 25.0 113.141 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -72.59 -4.71 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.032 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -100.24 -17.87 17.13 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.04 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -69.58 140.29 53.77 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.253 0.621 . . . . 25.0 112.66 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -64.38 -14.77 58.34 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.173 -0.922 . . . . 25.0 112.154 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.9 150.03 20.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.673 -1.149 . . . . 25.0 112.902 -171.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.5 mmm -122.01 98.31 5.88 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.101 168.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 64.5 mtp -157.21 156.39 32.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.337 -175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.06 118.39 14.63 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.351 -0.841 . . . . 25.0 108.982 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.838 HH21 ' HG3' ' A' ' 49' ' ' GLN . 58.8 ttp180 -101.53 142.98 32.08 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.031 0.443 . . . . 25.0 111.609 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -124.0 108.63 12.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.158 -0.928 . . . . 25.0 110.094 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 61.7 mt -89.1 133.43 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.804 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.76 164.96 30.5 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.89 -0.595 . . . . 25.0 113.641 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.82 133.53 35.63 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.971 0.508 . . . . 25.0 111.312 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.6 134.26 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.163 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -105.03 88.07 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.224 -0.898 . . . . 25.0 108.788 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -86.75 -2.03 58.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.035 -0.53 . . . . 25.0 112.253 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.5 p -76.9 -10.8 59.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.835 0.35 . . . . 25.0 111.604 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -94.5 37.67 1.12 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.688 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.04 121.15 2.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.096 0.959 . . . . 25.0 112.744 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -100.88 151.74 21.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.635 -1.166 . . . . 25.0 109.897 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.87 142.62 51.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.299 0.374 . . . . 25.0 110.301 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -84.35 -169.42 2.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.931 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.27 -31.5 63.67 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.46 -20.81 23.44 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.003 0.372 . . . . 25.0 112.003 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.05 19.35 12.87 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.61 -0.328 . . . . 25.0 113.055 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -90.77 147.21 23.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 122.608 0.363 . . . . 25.0 110.173 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 38.0 tt0 -72.11 114.55 10.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.105 0.479 . . . . 25.0 111.636 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.29 101.21 11.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.176 -0.92 . . . . 25.0 109.253 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 79' ' ' GLU . 86.1 t -91.63 129.08 43.9 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 115.469 -0.787 . . . . 25.0 111.592 -172.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_exo -59.59 134.3 57.09 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.163 2.575 . . . . 25.0 113.357 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 99.6 mttt -94.98 161.45 28.29 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.727 -175.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -66.66 150.06 83.77 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.655 2.237 . . . . 25.0 114.088 -178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.43 150.25 20.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.708 -1.133 . . . . 25.0 110.557 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HD3' ' HD2' ' A' ' 61' ' ' ARG . 38.8 mtt85 -131.67 134.2 45.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.359 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m-70 -112.06 113.04 25.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.555 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.89 139.1 37.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.898 0.38 . . . . 25.0 111.376 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -130.65 129.6 42.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.757 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -84.41 144.7 28.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.96 0.41 . . . . 25.0 111.234 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -128.13 176.23 7.81 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.413 -0.812 . . . . 25.0 111.741 -173.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -122.31 -17.65 7.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.963 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -141.49 143.5 33.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.955 0.407 . . . . 25.0 111.13 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 1.026 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 ttt180 -75.21 -28.07 59.83 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.439 -0.801 . . . . 25.0 112.092 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -71.05 -22.03 62.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.391 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.0 t -80.58 -62.68 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptp -46.11 -40.91 11.63 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.781 0.66 . . . . 25.0 112.781 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -69.53 -31.28 69.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.53 0.519 . . . . 25.0 111.779 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.43 -33.18 28.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mm -69.3 -52.63 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 172.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -53.96 -43.11 69.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.787 0.835 . . . . 25.0 111.827 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 ttp -53.34 -51.87 61.04 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.15 0.58 . . . . 25.0 111.497 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.3 m -59.88 -59.87 4.74 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.395 0.434 . . . . 25.0 109.959 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.1 -59.47 2.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.311 1.045 . . . . 25.0 111.066 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -49.26 -33.92 13.99 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.115 0.966 . . . . 25.0 113.421 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -81.6 -19.86 41.0 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.182 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 95.8 mt -85.12 -42.53 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.638 0.775 . . . . 25.0 112.068 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.24 -50.37 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 111.884 0.328 . . . . 25.0 111.884 -173.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.5 p -65.46 -16.11 63.32 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.57 -43.22 94.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 120.994 0.426 . . . . 25.0 110.808 169.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -76.95 -11.17 59.77 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.046 -0.979 . . . . 25.0 112.271 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -84.04 -25.26 30.01 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.17 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -95.72 -19.01 20.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.729 -0.669 . . . . 25.0 111.232 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.51 -5.54 59.3 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.713 -0.66 . . . . 25.0 110.465 -178.653 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.529 -0.228 . . . . 25.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 41.5 t -119.44 108.73 39.34 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 123.621 0.248 . . . . 25.0 110.948 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.35 142.33 85.18 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.649 2.233 . . . . 25.0 113.06 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -159.41 129.77 2.3 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.882 -0.599 . . . . 25.0 112.55 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -97.51 113.04 62.83 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-O 119.605 -0.236 . . . . 25.0 111.092 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.94 140.86 75.02 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.489 2.126 . . . . 25.0 113.306 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -120.35 133.86 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.775 -0.648 . . . . 25.0 110.775 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -142.83 73.47 0.36 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.964 -0.562 . . . . 25.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 86.6 mt -121.96 -46.15 2.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.245 0.545 . . . . 25.0 110.389 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.19 -14.92 20.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.487 -1.233 . . . . 25.0 110.269 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 74.1 m -130.0 62.68 1.55 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.144 -0.934 . . . . 25.0 110.159 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -121.66 -68.1 0.26 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.849 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -128.5 4.36 5.62 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 122.351 0.261 . . . . 25.0 111.491 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.69 9.65 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.124 0.487 . . . . 25.0 112.26 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -101.19 9.24 42.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.346 -0.843 . . . . 25.0 111.858 -175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -73.77 -15.01 61.21 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.6 p -92.51 -3.81 54.56 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.42 -0.354 . . . . 25.0 111.387 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 17.8 p -88.45 -32.93 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.99 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 45.9 pt -88.96 -24.06 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.31 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.56 9.17 22.0 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.404 0.621 . . . . 25.0 110.901 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.25 -29.81 14.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.467 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -73.72 -17.41 61.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.98 170.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -78.91 -29.78 44.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.644 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.03 -22.04 31.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.02 -19.75 43.24 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.18 -14.26 31.39 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.171 0.295 . . . . 25.0 111.73 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 94.0 mt -86.63 -35.74 19.22 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.11 -30.57 63.74 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.78 0.324 . . . . 25.0 111.175 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 54.4 p -93.08 -59.05 2.14 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.374 -0.83 . . . . 25.0 111.583 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 54.33 101.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.828 0.851 . . . . 25.0 112.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.28 -61.32 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.597 -0.729 . . . . 25.0 109.935 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 75.4 m 58.24 114.82 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.059 0.944 . . . . 25.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 117.988 -1.006 . . . . 25.0 110.737 179.726 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 N--CA 1.484 0.917 0 N-CA-C 111.097 -0.386 . . . . 25.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 99' ' ' ASN . 3.0 t -142.94 132.23 23.35 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.956 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.538 ' HA ' HD12 ' A' ' 18' ' ' ILE . 62.5 m170 -85.05 -7.24 59.2 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.436 -0.802 . . . . 25.0 110.908 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.7 p -145.78 145.49 30.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.051 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.66 -117.47 0.66 Allowed Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.12 -0.946 . . . . 25.0 112.07 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.35 125.95 11.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.722 0.409 . . . . 25.0 110.246 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.83 154.6 44.33 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -176.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 83.8 mt -112.51 137.87 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.329 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -143.71 122.69 12.8 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.708 -0.678 . . . . 25.0 109.512 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 62.49 39.01 12.2 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.735 0.814 . . . . 25.0 112.023 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 69.49 -6.18 1.03 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.636 1.174 . . . . 25.0 113.291 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.74 121.81 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 t -81.71 141.28 33.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.545 -175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.37 -157.09 8.28 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.311 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.76 140.02 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -0.61 . . . . 25.0 109.635 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.501 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.51 138.36 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.671 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.21 43.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.359 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 3' ' ' HIS . 87.2 mt -104.37 134.07 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.114 0.483 . . . . 25.0 109.898 176.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -104.94 106.29 16.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.001 -0.999 . . . . 25.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -121.07 167.95 12.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.426 174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 71.07 3.09 4.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.822 0.849 . . . . 25.0 111.754 -171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 m -101.6 -172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.332 -1.303 . . . . 25.0 109.808 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -73.19 163.92 64.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.027 -1.842 . . . . 25.0 106.027 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.45 129.5 3.52 Favored 'Trans proline' 0 C--N 1.373 1.865 0 CA-C-N 122.098 1.785 . . . . 25.0 113.426 -142.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.86 141.09 13.92 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.219 -1.355 . . . . 25.0 113.188 -165.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -125.27 172.42 9.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.81 -1.541 . . . . 25.0 111.386 -166.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.642 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -129.08 108.22 10.21 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 173.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -107.21 111.66 24.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.252 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -86.6 137.96 32.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.671 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 73.5 mtp180 -128.09 154.97 45.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.244 -0.889 . . . . 25.0 109.899 171.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.655 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.0 p -72.49 159.78 33.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -53.85 -20.79 6.37 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.705 1.002 . . . . 25.0 113.705 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -101.28 -31.59 10.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.351 0.407 . . . . 25.0 110.286 171.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 17.69 28.84 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 115.45 -0.796 . . . . 25.0 113.319 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.44 -30.18 61.79 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 122.79 0.436 . . . . 25.0 110.622 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.655 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.4 mttp -103.76 137.69 41.43 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.292 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.17 135.92 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 120.864 0.364 . . . . 25.0 111.807 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.53 145.47 51.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.602 -0.727 . . . . 25.0 109.488 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.36 128.89 43.99 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.001 0.429 . . . . 25.0 111.994 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.7 t -112.17 108.26 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 115.247 -0.888 . . . . 25.0 110.06 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.4 t -81.69 123.1 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -75.24 -21.86 58.3 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -171.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.99 -9.68 47.5 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.877 0.37 . . . . 25.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -115.23 14.09 16.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.592 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 63' ' ' ILE . 42.4 mm -111.29 142.23 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.17 175.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -109.49 -52.93 2.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.657 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -131.57 174.5 10.04 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 122.577 0.351 . . . . 25.0 110.864 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.22 132.95 14.93 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.787 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 94.6 mt-30 -129.7 114.58 16.16 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.949 0.352 . . . . 25.0 111.949 -176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -116.04 154.25 30.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -72.23 122.86 88.54 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.71 166.36 8.37 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.884 2.389 . . . . 25.0 113.216 173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.79 -10.2 59.29 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.205 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -97.4 -8.63 29.02 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.814 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.7 t -77.97 142.03 38.58 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 121.464 0.65 . . . . 25.0 112.733 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -60.52 -23.66 64.74 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.434 -1.257 . . . . 25.0 112.285 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.6 154.51 17.18 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.338 -1.301 . . . . 25.0 113.178 -169.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.9 mtm -126.04 97.58 5.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.035 -0.984 . . . . 25.0 108.789 168.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.491 ' SD ' ' HD1' ' B' ' 542' ' ' PHE . 0.2 OUTLIER -156.24 157.46 35.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.614 -173.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 43.0 tp -138.19 118.54 13.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.891 175.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.725 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 60.0 ttm-85 -99.96 144.75 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.059 0.457 . . . . 25.0 110.683 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 104' ' ' LEU . 4.4 mm? -123.82 102.32 7.74 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.186 -0.915 . . . . 25.0 109.705 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 45' ' ' ILE . 97.4 mt -85.14 131.33 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 115.126 -0.943 . . . . 25.0 109.543 -174.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.01 163.7 26.96 Favored Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.617 -0.72 . . . . 25.0 114.12 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -81.4 120.44 24.98 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.16 -0.52 . . . . 25.0 111.14 176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 135.21 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.182 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -95.74 78.77 3.3 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.444 -0.798 . . . . 25.0 109.056 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -66.36 -1.18 3.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -172.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.9 p -79.02 0.53 27.36 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.559 0.344 . . . . 25.0 111.657 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.43 29.9 1.21 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.135 0.574 . . . . 25.0 111.173 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -46.73 119.05 2.27 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.065 0.946 . . . . 25.0 112.869 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -103.48 155.26 18.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.093 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.07 144.33 51.05 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.748 0.309 . . . . 25.0 110.203 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.74 -168.91 2.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.815 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.89 -31.53 64.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.01 -20.19 24.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.032 0.382 . . . . 25.0 112.032 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.74 19.52 17.4 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 123.284 0.365 . . . . 25.0 113.022 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -90.26 146.53 24.16 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.725 0.41 . . . . 25.0 110.083 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.5 tt0 -72.4 115.13 11.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.045 0.45 . . . . 25.0 111.656 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.05 101.09 11.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.31 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 79' ' ' GLU . 83.4 t -93.45 129.33 39.1 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.743 -172.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -67.63 143.29 61.69 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.888 2.392 . . . . 25.0 112.669 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.58 160.42 31.56 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.948 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.01 152.82 80.36 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.756 2.304 . . . . 25.0 112.801 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -92.67 126.23 37.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.731 -0.668 . . . . 25.0 111.599 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.725 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 46.0 mtt180 -114.6 139.14 49.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.122 -0.944 . . . . 25.0 110.36 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 92.9 m-70 -123.0 116.99 24.46 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.185 0.303 . . . . 25.0 111.197 -176.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.6 mtp -96.66 149.7 21.51 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.786 0.326 . . . . 25.0 111.086 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 59' ' ' MET . 93.1 m-85 -140.44 126.35 19.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.455 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.765 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 6.4 m -83.61 144.26 29.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.908 0.385 . . . . 25.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE2' HG12 ' A' ' 96' ' ' VAL . 22.7 m-85 -128.36 176.06 8.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.931 -172.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.0 -15.46 7.33 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.68 -0.691 . . . . 25.0 110.91 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -143.41 143.92 31.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.854 0.462 . . . . 25.0 110.938 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.446 ' H ' ' HG2' ' A' ' 94' ' ' ARG . 8.3 mmt180 -80.48 -21.19 42.25 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 p -76.62 -22.77 53.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.149 0.18 . . . . 25.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 91' ' ' PHE . 62.7 t -74.94 -62.82 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 174.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.4 ptp -47.86 -38.83 17.03 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.118 0.567 . . . . 25.0 112.271 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.73 -20.77 61.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.475 ' HB3' ' H ' ' A' ' 2' ' ' SER . 83.2 m-20 -86.76 -30.91 21.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.533 0.333 . . . . 25.0 111.627 173.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.5 mm -76.08 -55.5 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -51.54 -43.87 62.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.255 1.022 . . . . 25.0 112.578 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 ttp -54.77 -56.1 22.97 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.342 0.401 . . . . 25.0 111.475 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.9 m -55.47 -58.18 8.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.33 0.394 . . . . 25.0 110.054 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.82 -60.62 1.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.71 0.804 . . . . 25.0 110.668 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -52.02 -29.23 20.05 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.968 0.907 . . . . 25.0 113.326 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.32 -20.12 28.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.882 0.473 . . . . 25.0 111.028 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.45 -42.55 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.42 0.688 . . . . 25.0 111.558 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.489 HD11 HD12 ' A' ' 42' ' ' LEU . 59.1 mt -71.39 -35.38 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.142 0.177 . . . . 25.0 111.12 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.23 -17.4 58.22 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.634 0.584 . . . . 25.0 111.666 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -80.18 -42.53 23.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.551 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -81.68 0.14 40.11 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.613 -0.721 . . . . 25.0 111.34 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -92.44 -32.08 15.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.487 -0.779 . . . . 25.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -87.14 -33.28 19.47 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.325 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.02 87.66 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.944 0.897 . . . . 25.0 112.519 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.905 -1.043 . . . . 25.0 110.782 179.446 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.526 -0.229 . . . . 25.0 112.526 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 38.8 t -113.04 103.62 55.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 122.327 0.251 . . . . 25.0 110.999 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 154.71 65.53 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.807 2.338 . . . . 25.0 113.316 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.9 42.94 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.961 -0.563 . . . . 25.0 112.79 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 67.2 t80 58.07 80.78 0.27 Allowed Pre-proline 0 N--CA 1.484 1.266 0 C-N-CA 124.051 0.941 . . . . 25.0 112.035 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.64 -38.72 2.28 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.731 2.287 . . . . 25.0 113.081 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 56.1 t30 42.7 86.54 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.685 1.194 . . . . 25.0 113.275 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 92.9 106.07 1.69 Allowed Glycine 0 C--N 1.341 0.838 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.942 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 69.6 mt -123.36 106.06 10.36 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.991 0.424 . . . . 25.0 110.408 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.3 mt -107.65 -8.24 16.19 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' B' ' 532' ' ' GLU . 99.0 p -162.22 -42.97 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.523 -1.217 . . . . 25.0 109.639 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.64 -24.62 30.78 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.683 -0.69 . . . . 25.0 113.703 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -125.4 -11.35 6.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.944 0.402 . . . . 25.0 111.151 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . 0.431 ' HB2' ' OG ' ' B' ' 529' ' ' SER . 54.8 mt-10 -116.18 8.91 14.5 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.457 -0.792 . . . . 25.0 111.838 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -92.15 -33.77 14.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 25.0 111.53 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -96.84 -2.87 43.14 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 97.8 p -89.79 -7.87 53.43 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.097 0.248 . . . . 25.0 111.385 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p -86.87 -30.19 21.62 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.183 -0.462 . . . . 25.0 111.174 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.0 pt -90.95 -24.15 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.135 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.24 6.0 35.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.368 0.604 . . . . 25.0 110.999 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.454 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 26.3 t70 -94.02 -28.88 15.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.881 -1.054 . . . . 25.0 109.251 171.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.87 -21.68 62.38 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.21 -0.905 . . . . 25.0 110.789 171.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -74.76 -34.45 62.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.127 -0.942 . . . . 25.0 112.415 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.787 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 5.2 t80 -84.65 -26.78 27.57 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.53 0.567 . . . . 25.0 112.53 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -71.81 -29.43 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -89.76 -11.99 40.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.327 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 37.9 mt -87.37 -32.07 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.016 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.53 -22.98 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.821 0.343 . . . . 25.0 111.133 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 80.5 p -95.04 39.65 1.11 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.253 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -92.14 2.28 56.69 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.659 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.6 mt -110.89 123.32 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.3 m -114.69 135.48 54.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.639 -0.71 . . . . 25.0 110.994 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.955 -1.021 . . . . 25.0 111.037 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo . . . . . 0 N--CA 1.485 1.007 0 N-CA-C 111.493 -0.233 . . . . 25.0 111.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.558 ' HB3' ' OG1' ' A' ' 103' ' ' THR . 48.7 m 60.16 165.12 0.07 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.135 . . . . 25.0 113.869 173.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 18' ' ' ILE . 52.0 m-70 74.07 -53.06 0.69 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.265 1.426 . . . . 25.0 112.984 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 42.8 t -130.51 142.82 50.48 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -176.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.48 -112.09 0.32 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.721 -1.127 . . . . 25.0 111.69 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.79 128.02 9.82 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.805 0.442 . . . . 25.0 110.339 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -145.91 154.79 42.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 98.3 mt -111.7 140.81 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.556 -0.747 . . . . 25.0 109.299 175.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CD2' ' CD2' ' A' ' 38' ' ' HIS . 80.1 t80 -143.43 121.59 12.2 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 61.74 40.55 12.91 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.784 0.833 . . . . 25.0 111.971 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 69.84 -5.15 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.547 1.139 . . . . 25.0 113.488 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.6 t -97.1 122.79 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.486 ' HA ' HG12 ' A' ' 8' ' ' ILE . 43.3 t -83.08 141.48 31.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.571 -174.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -158.11 -155.89 7.75 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.01 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.04 140.88 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.085 -0.558 . . . . 25.0 109.526 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.89 137.01 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.574 -178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.45 146.03 43.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.226 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 3' ' ' HIS . 44.8 mt -106.49 130.9 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.103 0.478 . . . . 25.0 110.658 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.49 108.08 20.68 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.9 -1.045 . . . . 25.0 111.122 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -121.83 168.39 11.91 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 71.09 3.85 4.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.706 0.802 . . . . 25.0 111.69 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -101.46 -172.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 114.28 -1.327 . . . . 25.0 110.117 176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.1 p -74.04 160.91 80.61 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 171.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.78 130.17 2.76 Favored 'Trans proline' 0 C--N 1.373 1.841 0 CA-C-N 122.288 1.853 . . . . 25.0 113.884 -139.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.38 140.52 10.14 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.935 -1.484 . . . . 25.0 113.293 -167.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.02 171.08 10.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 113.734 -1.575 . . . . 25.0 111.199 -168.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.656 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 50.7 tp -127.73 109.09 11.31 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 174.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -108.58 111.95 24.05 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.264 -171.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -86.55 136.54 33.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.571 -0.741 . . . . 25.0 109.533 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 54.9 mtp180 -128.22 151.2 49.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 25.0 109.711 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.8 p -69.96 158.9 34.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.394 172.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -53.87 -20.12 5.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -101.15 -31.3 11.11 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.379 0.425 . . . . 25.0 110.386 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 17.23 33.11 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.97 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -76.2 -28.48 57.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.593 0.357 . . . . 25.0 110.098 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.72 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.0 mttp -106.11 137.57 43.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.65 -0.704 . . . . 25.0 109.405 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -149.02 134.32 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 120.82 0.343 . . . . 25.0 111.725 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 9' ' ' PHE . 95.2 m-70 -129.17 146.2 51.15 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.663 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -129.22 129.82 45.5 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.982 0.42 . . . . 25.0 112.007 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 90.1 t -113.77 107.62 23.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.254 -0.884 . . . . 25.0 109.958 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.5 122.14 36.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -76.82 -20.12 56.74 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.951 1.093 . . . . 25.0 113.951 -171.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.4 p -69.78 -3.55 16.05 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.198 0.523 . . . . 25.0 110.477 174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -115.28 5.43 14.69 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.203 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -112.76 137.91 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.527 -0.76 . . . . 25.0 109.698 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.88 -43.2 4.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.399 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 64.1 mttp -133.37 169.14 17.37 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.96 133.43 15.53 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -134.89 125.11 26.1 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.635 0.198 . . . . 25.0 110.787 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.5 144.1 45.39 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.6 p -62.63 125.32 85.91 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 123.677 0.791 . . . . 25.0 111.674 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HG2' ' O ' ' B' ' 545' ' ' LEU . 31.2 Cg_exo -60.17 166.23 9.4 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.774 2.316 . . . . 25.0 113.344 176.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -71.8 -13.68 61.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.381 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -97.42 -8.37 29.57 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.502 0.502 . . . . 25.0 111.057 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 29.7 t -77.7 137.47 38.52 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 112.716 0.635 . . . . 25.0 112.716 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.4 mp0 -58.92 -22.13 59.14 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.665 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -92.65 141.01 28.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.422 -1.263 . . . . 25.0 112.044 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.6 mmm -117.36 96.78 5.57 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 167.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 61.5 mtm -154.48 153.95 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.332 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.91 120.16 23.2 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.981 -1.009 . . . . 25.0 109.356 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HD2' ' CG ' ' B' ' 542' ' ' PHE . 67.4 mtp180 -100.79 145.51 28.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.1 0.476 . . . . 25.0 111.902 -176.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -127.88 109.73 11.89 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.975 -1.012 . . . . 25.0 110.171 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 1.1 mt -88.76 132.88 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.087 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.89 162.19 33.89 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 116.075 -0.511 . . . . 25.0 113.823 -175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -85.83 116.73 24.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.401 0.619 . . . . 25.0 112.241 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 84' ' ' PRO . 4.3 t -121.06 144.77 28.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 114.563 -1.198 . . . . 25.0 110.621 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -92.67 106.94 18.83 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.974 -1.012 . . . . 25.0 109.188 174.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.34 -1.11 56.64 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -76.47 -6.06 50.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.54 0.336 . . . . 25.0 111.627 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -91.98 33.54 1.05 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.541 0.686 . . . . 25.0 110.8 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -46.02 128.35 9.15 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.84 1.256 . . . . 25.0 113.118 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 mtp-105 -110.27 145.13 37.91 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.64 138.56 53.92 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -78.99 -171.32 2.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.18 -32.05 63.98 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.728 1.011 . . . . 25.0 113.728 -174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.87 -12.81 37.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.91 20.58 25.76 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 116.235 -0.439 . . . . 25.0 112.912 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.42 148.05 24.4 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.521 0.328 . . . . 25.0 110.309 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG2' HG23 ' A' ' 81' ' ' VAL . 44.6 tt0 -71.64 120.51 17.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.329 -175.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.64 99.6 5.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.348 -0.842 . . . . 25.0 108.783 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 79' ' ' GLU . 59.4 t -100.01 126.04 37.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.385 -171.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.1 124.63 12.42 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.986 2.457 . . . . 25.0 112.683 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -96.12 156.03 37.53 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 115.076 -0.966 . . . . 25.0 112.43 -174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.562 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -68.66 152.55 74.4 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.037 2.491 . . . . 25.0 114.084 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -92.1 142.42 27.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.774 -1.103 . . . . 25.0 110.697 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -114.02 127.38 55.92 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.621 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 -96.96 112.08 24.0 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.235 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.9 mtm -102.64 139.75 37.81 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.342 0.592 . . . . 25.0 111.402 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.7 m-85 -119.65 164.35 16.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.48 -1.236 . . . . 25.0 108.481 173.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.781 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 42.5 m -121.37 139.66 53.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.203 0.525 . . . . 25.0 111.182 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.87 176.55 6.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.942 -1.026 . . . . 25.0 111.942 -170.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.84 -18.18 6.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.998 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -140.45 143.79 35.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.671 0.388 . . . . 25.0 111.096 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.535 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 52.0 ptt85 -79.21 -18.41 53.0 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.3 p -75.65 -27.12 58.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.093 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.38 -60.55 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.6 ptp -47.79 -40.72 21.71 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.75 -20.85 61.82 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.306 0.379 . . . . 25.0 111.868 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.74 -28.49 23.02 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.516 0.327 . . . . 25.0 111.591 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -79.58 -54.41 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -50.52 -41.91 54.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.193 0.997 . . . . 25.0 112.412 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.09 -59.08 5.62 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.344 0.403 . . . . 25.0 111.212 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.558 ' OG1' ' HB3' ' A' ' 2' ' ' SER . 41.4 m -51.19 -58.94 4.83 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 110.035 -0.357 . . . . 25.0 110.035 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.2 -59.24 2.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.917 0.887 . . . . 25.0 110.698 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -55.15 -31.3 61.22 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -78.47 -21.12 49.49 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.518 0.327 . . . . 25.0 111.335 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 94.4 mt -85.32 -42.61 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.37 0.668 . . . . 25.0 111.706 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.41 -35.45 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.226 0.21 . . . . 25.0 111.252 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.6 p -62.4 -19.32 63.31 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.672 0.607 . . . . 25.0 111.818 175.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.41 -43.36 32.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.077 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 87.9 m-85 -82.03 -1.97 50.13 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.273 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 24.1 tptp -88.49 -26.24 22.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.252 -0.885 . . . . 25.0 110.103 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -95.36 -17.47 21.57 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.438 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.26 -9.5 59.73 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.1 t0 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.642 -0.694 . . . . 25.0 110.387 -179.137 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.518 -0.233 . . . . 25.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.0 t -108.56 129.46 23.97 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 119.559 -0.257 . . . . 25.0 111.071 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -73.01 -17.9 24.59 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.471 2.114 . . . . 25.0 114.02 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 151.83 164.96 12.62 Favored Glycine 0 C--N 1.341 0.812 0 O-C-N 123.32 0.388 . . . . 25.0 112.737 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -116.44 130.85 24.18 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-O 119.472 -0.299 . . . . 25.0 111.089 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.47 146.87 45.34 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.327 2.018 . . . . 25.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -98.11 138.47 35.35 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.968 -0.56 . . . . 25.0 111.158 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 128.78 -123.24 4.22 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.464 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 54.5 mt -131.24 138.8 49.49 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.841 0.353 . . . . 25.0 110.145 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.14 95.14 7.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.584 -0.735 . . . . 25.0 109.805 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 51.2 m 66.64 60.28 0.58 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.149 0.979 . . . . 25.0 110.666 -174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -115.26 -94.61 1.97 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 114.916 -1.038 . . . . 25.0 112.771 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -130.74 -8.02 4.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.682 0.277 . . . . 25.0 111.603 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -103.76 2.62 33.15 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.376 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -114.21 -23.93 9.21 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.512 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -100.32 -13.34 18.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 94.4 p -85.68 -3.99 59.04 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.208 0.318 . . . . 25.0 111.732 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.8 p -86.63 -35.65 19.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.299 -0.41 . . . . 25.0 110.91 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 29.6 pt -87.33 -23.82 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.415 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -86.1 6.94 26.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.432 0.634 . . . . 25.0 110.92 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -90.52 -29.04 18.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.698 -1.137 . . . . 25.0 109.078 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 95.4 mtp -75.94 -22.09 56.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.185 -0.916 . . . . 25.0 110.881 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -75.11 -32.77 61.48 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.371 -0.831 . . . . 25.0 112.525 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' B' ' 546' ' ' LEU . 0.2 OUTLIER -80.38 -37.43 32.32 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -170.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.7 p -76.68 -24.18 53.21 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.402 0.281 . . . . 25.0 111.571 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.78 -25.91 40.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.13 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 52' ' ' PRO . 56.6 mt -86.16 -39.85 16.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.371 0.668 . . . . 25.0 111.34 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 542' ' ' PHE . 4.4 mt -69.86 -29.96 67.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.392 -177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 68.0 m -120.56 76.41 1.19 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.725 -0.671 . . . . 25.0 110.112 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -96.15 69.36 2.73 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.507 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 46.5 pt -105.27 -16.7 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.062 -0.972 . . . . 25.0 112.228 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 71.6 m -110.25 138.27 46.86 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.197 0.31 . . . . 25.0 111.142 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.758 -0.639 . . . . 25.0 111.058 179.595 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 1.523 ' CD ' ' CG ' ' A' ' 1' ' ' PRO . 91.8 Cg_exo . . . . . 0 N--CA 1.487 1.128 0 N-CA-C 111.242 -0.33 . . . . 25.0 111.242 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -141.0 124.62 16.84 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.55 ' HA ' HD12 ' A' ' 18' ' ' ILE . 56.7 m170 -84.38 -6.66 59.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.442 -0.799 . . . . 25.0 110.869 175.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 78.9 p -146.13 147.46 31.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.216 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -155.28 -116.4 0.55 Allowed Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.124 -0.944 . . . . 25.0 111.865 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.18 126.38 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.642 0.377 . . . . 25.0 110.337 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 152.59 42.22 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.78 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 72.3 mt -110.02 140.21 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.972 -0.558 . . . . 25.0 109.853 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.545 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 27.3 t80 -145.65 126.78 14.7 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.745 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 6.5 pt-20 59.02 38.16 24.23 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.812 0.845 . . . . 25.0 111.981 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 68.66 -2.31 1.7 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.542 1.137 . . . . 25.0 113.043 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HD2' ' A' ' 36' ' ' LYS . 58.5 t -92.48 121.31 42.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 172.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' ILE . 37.6 t -80.8 137.31 36.22 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.165 -0.47 . . . . 25.0 110.599 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.31 -158.61 8.75 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.492 -0.776 . . . . 25.0 113.268 -174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 5' ' ' GLY . 96.5 mt -126.83 138.46 54.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 114.778 -0.711 . . . . 25.0 109.627 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -103.3 137.72 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.116 -0.493 . . . . 25.0 110.437 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.15 146.31 44.84 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.426 0.454 . . . . 25.0 111.273 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 3' ' ' HIS . 87.2 mt -104.01 131.15 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.313 0.578 . . . . 25.0 110.64 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -98.45 106.51 18.8 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.572 -1.195 . . . . 25.0 111.158 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.5 mt-10 -122.97 167.83 13.09 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 173.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 72.67 2.82 4.49 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.816 0.846 . . . . 25.0 110.592 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 m -102.97 -172.54 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.665 -1.152 . . . . 25.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.2 p -73.69 158.89 85.62 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -40.47 130.55 2.51 Favored 'Trans proline' 0 C--N 1.375 1.929 0 CA-C-N 122.11 1.789 . . . . 25.0 113.913 -139.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.21 138.24 12.74 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.24 -166.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 41' ' ' VAL . 4.7 mt-10 -124.45 171.84 9.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.494 -1.685 . . . . 25.0 110.763 -169.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 62' ' ' LEU . 1.7 tp -123.25 121.94 37.14 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.45 -0.945 . . . . 25.0 108.45 166.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.19 108.21 16.66 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.365 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HD1' HG13 ' A' ' 16' ' ' ILE . 91.0 t90 -84.83 135.03 34.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.612 171.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -128.12 150.04 50.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.437 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.78 164.41 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.136 -0.459 . . . . 25.0 110.028 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.1 m -53.43 -26.8 21.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -97.98 -30.78 12.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.223 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.42 32.11 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 116.106 -0.497 . . . . 25.0 113.924 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -79.09 -27.83 43.01 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 173.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 31.2 mttp -101.39 131.58 47.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.08 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 134.11 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-O 120.858 0.361 . . . . 25.0 111.535 -175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -129.0 148.37 50.95 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.641 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -128.58 140.09 51.96 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.131 0.491 . . . . 25.0 111.603 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 62' ' ' LEU . 46.7 t -127.3 107.54 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 114.905 -1.043 . . . . 25.0 109.618 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 26' ' ' GLU . 81.0 t -82.68 120.87 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.74 -20.85 59.66 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -171.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -68.29 -5.18 17.18 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.196 0.522 . . . . 25.0 110.442 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.38 7.33 15.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.891 -1.05 . . . . 25.0 110.179 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 22.7 mm -113.5 142.61 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.874 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -112.24 -45.8 3.25 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.558 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 22.8 mttp -132.64 169.94 15.92 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.772 HD11 ' OE1' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -149.52 131.88 15.61 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 178.029 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.545 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 93.7 mt-30 -131.66 115.29 15.86 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' C ' ' HZ ' ' B' ' 542' ' ' PHE . . . -115.89 153.63 31.19 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -175.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' HG2' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.84 126.9 92.21 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 123.505 0.722 . . . . 25.0 111.836 -177.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 55' ' ' SER . 31.3 Cg_exo -60.48 165.55 11.08 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.815 2.343 . . . . 25.0 113.132 173.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -7.81 55.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.202 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.3 p -96.47 -16.35 21.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.01 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 28.7 t -71.6 141.02 50.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.906 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.2 pm0 -65.08 -19.9 66.21 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.742 -1.117 . . . . 25.0 111.674 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' CB ' HG21 ' A' ' 51' ' ' THR . 68.6 mttt -93.81 154.67 17.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.653 -1.158 . . . . 25.0 112.937 -172.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 90' ' ' SER . 58.4 mtm -127.2 98.43 5.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.962 -1.017 . . . . 25.0 108.859 169.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.86 ' HG2' HG23 ' A' ' 51' ' ' THR . 25.5 ptm -155.36 156.71 35.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.127 -0.488 . . . . 25.0 112.167 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' MET . 53.2 tp -139.89 118.82 12.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.202 -0.908 . . . . 25.0 109.126 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.772 ' HD3' ' HD3' ' A' ' 86' ' ' ARG . 53.3 ttm-85 -100.22 146.37 26.96 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.896 0.379 . . . . 25.0 111.011 -177.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -128.21 104.86 7.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.363 -0.835 . . . . 25.0 109.883 179.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 25.4 mt -84.98 135.28 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.078 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.63 163.7 28.67 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.739 -0.664 . . . . 25.0 113.789 -174.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -89.1 110.29 21.04 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.514 0.673 . . . . 25.0 112.06 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 84' ' ' PRO . 2.8 t -122.91 147.69 27.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.431 -1.259 . . . . 25.0 110.7 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -96.03 99.9 11.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.181 -0.918 . . . . 25.0 110.054 174.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -85.05 -2.11 57.61 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.314 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -71.45 -13.04 61.7 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.064 -0.517 . . . . 25.0 111.092 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.12 141.6 28.64 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.581 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -99.74 131.95 45.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.803 -1.09 . . . . 25.0 111.935 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 77.9 ttt-85 -123.19 137.39 54.9 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 169.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -119.71 135.06 54.99 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.978 ' CB ' ' OE2' ' A' ' 76' ' ' GLU . 36.2 m-20 -78.93 -179.49 6.65 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.706 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -55.05 -32.47 61.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.978 ' OE2' ' CB ' ' A' ' 74' ' ' ASP . 1.3 pm0 -73.92 -21.85 59.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.6 14.86 42.34 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 116.161 -0.472 . . . . 25.0 112.781 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 63.8 t30 -80.91 150.31 29.08 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.637 0.375 . . . . 25.0 110.696 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -76.49 105.66 7.67 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.192 0.52 . . . . 25.0 110.227 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 80' ' ' VAL . 8.3 p -116.08 98.91 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.109 -0.951 . . . . 25.0 109.034 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 94.4 t -88.44 121.38 70.25 Favored Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 115.373 -0.831 . . . . 25.0 110.713 -172.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.99 130.71 31.85 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.079 2.519 . . . . 25.0 114.211 -171.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.03 157.26 35.29 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 114.439 -1.255 . . . . 25.0 112.738 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.7 Cg_endo -66.72 150.23 83.58 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.997 2.464 . . . . 25.0 114.19 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -92.69 134.25 35.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.815 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.772 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 58.0 mtt85 -118.96 133.5 55.79 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.881 -0.6 . . . . 25.0 110.751 -172.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 97.3 m-70 -111.12 114.65 28.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.836 0.454 . . . . 25.0 111.262 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 67.6 mtm -96.34 149.24 21.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.671 0.272 . . . . 25.0 110.791 -177.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 59' ' ' MET . 92.2 m-85 -140.61 125.45 18.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.629 175.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.78 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.54 144.35 29.56 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.951 0.405 . . . . 25.0 111.138 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -127.77 176.45 7.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.811 -173.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -120.41 -18.89 7.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.858 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -140.65 143.48 35.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.728 0.411 . . . . 25.0 111.075 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -79.08 -18.15 53.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.9 p -76.38 -21.58 55.87 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 123.221 0.325 . . . . 25.0 111.348 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.03 -62.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.0 ptp -46.39 -39.94 11.23 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.57 -24.63 61.95 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.498 0.499 . . . . 25.0 111.611 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -87.05 -32.29 20.07 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.454 0.471 . . . . 25.0 111.901 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.56 -54.04 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.18 -43.09 61.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.278 1.031 . . . . 25.0 112.145 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.1 ttp -54.63 -52.29 62.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.222 0.609 . . . . 25.0 111.697 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -60.13 -58.26 9.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 42' ' ' LEU . 77.3 mt -43.67 -59.47 2.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.11 0.964 . . . . 25.0 110.884 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.772 ' OE1' HD11 ' A' ' 48' ' ' LEU . 58.6 tp60 -50.15 -32.16 15.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.158 0.983 . . . . 25.0 113.44 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.93 -20.42 32.99 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.252 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.59 -41.12 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.355 0.662 . . . . 25.0 111.561 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.26 -35.52 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-O 120.521 0.2 . . . . 25.0 110.878 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.457 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 85.6 p -64.88 -16.96 63.87 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.565 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.76 -39.76 35.21 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.616 173.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -87.55 -0.82 57.39 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.228 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 29.2 tptp -89.62 -30.13 18.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.423 -0.808 . . . . 25.0 110.008 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -93.07 -14.81 26.83 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.581 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.77 60.43 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 58.5 t0 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.877 -0.582 . . . . 25.0 111.335 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.484 -0.246 . . . . 25.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 25.6 t -114.96 124.63 30.06 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 122.324 0.249 . . . . 25.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -73.73 -21.98 18.34 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.431 2.087 . . . . 25.0 113.913 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 118.93 -83.59 0.35 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.536 0.522 . . . . 25.0 112.714 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.05 112.46 64.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 119.56 -0.257 . . . . 25.0 111.043 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.35 147.5 93.54 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.67 2.246 . . . . 25.0 113.136 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -115.92 -35.39 4.46 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 154.13 -146.88 15.48 Favored Glycine 0 C--N 1.34 0.778 0 C-N-CA 121.43 -0.414 . . . . 25.0 112.659 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.65 25.45 10.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.926 0.393 . . . . 25.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 85.6 mt -83.12 9.35 10.63 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.055 -0.52 . . . . 25.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 64.3 p -134.88 -36.26 0.84 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.098 -0.501 . . . . 25.0 111.108 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 136.44 94.05 0.38 Allowed Glycine 0 C--N 1.34 0.782 0 O-C-N 123.385 0.428 . . . . 25.0 112.584 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -121.63 -9.62 8.89 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.934 0.397 . . . . 25.0 110.381 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -101.54 7.15 42.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.439 -0.801 . . . . 25.0 111.899 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.95 1.06 55.19 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.042 -0.981 . . . . 25.0 111.237 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -88.4 -1.46 58.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 93.5 p -85.8 -6.63 59.07 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.388 -0.369 . . . . 25.0 111.56 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 91.8 p -82.49 -33.3 28.41 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.32 -0.4 . . . . 25.0 110.916 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 46.0 pt -86.96 -20.23 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 115.651 -0.704 . . . . 25.0 110.137 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -88.55 4.45 46.73 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.368 0.604 . . . . 25.0 110.931 172.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.49 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 31.4 t70 -98.5 -29.53 13.04 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.809 -1.087 . . . . 25.0 109.433 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 99.0 mtp -72.18 -18.72 61.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.285 -0.87 . . . . 25.0 110.2 173.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -85.67 -27.56 25.27 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.854 -1.066 . . . . 25.0 112.73 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 2.4 t80 -84.09 -43.04 15.46 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 -175.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 87.1 p -63.07 -31.24 72.33 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -171.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -85.05 -26.57 26.91 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.902 0.382 . . . . 25.0 111.223 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.57 -12.0 49.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.267 -0.879 . . . . 25.0 111.178 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.6 tp -100.4 -32.56 10.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.139 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 36.8 t -106.92 97.05 6.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.979 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -112.73 76.3 0.97 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.411 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.2 mt -117.47 122.58 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.374 -0.83 . . . . 25.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -123.5 -41.15 2.3 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.219 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.835 -0.602 . . . . 25.0 110.937 179.847 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo . . . . . 0 N--CA 1.486 1.037 0 N-CA-C 111.01 -0.419 . . . . 25.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -138.11 136.43 36.73 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.09 -0.504 . . . . 25.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.558 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 54.3 m170 -88.64 -3.98 58.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.12 176.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 85.6 p -146.38 150.42 35.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.301 -176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -159.48 -117.93 0.49 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.225 -0.898 . . . . 25.0 112.192 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 127.62 13.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.657 0.383 . . . . 25.0 110.297 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.77 42.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.793 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 68.5 mt -113.83 139.32 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.444 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -143.79 116.88 8.9 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.81 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 63.17 42.59 7.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.908 0.883 . . . . 25.0 112.037 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.67 -8.49 0.91 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.77 1.228 . . . . 25.0 113.762 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 94.4 t -93.07 118.64 39.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 173.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -81.19 138.97 35.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.406 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.06 -158.91 8.98 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.299 -0.864 . . . . 25.0 113.31 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 5' ' ' GLY . 91.7 mt -126.18 137.03 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 114.927 -0.636 . . . . 25.0 109.559 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.96 138.82 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 116.156 -0.475 . . . . 25.0 110.734 -177.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.19 145.89 44.23 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.098 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 85.5 mt -103.18 131.9 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.264 0.554 . . . . 25.0 110.236 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . 2.0 t-20 -100.23 107.15 18.91 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.737 -1.119 . . . . 25.0 111.375 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 18' ' ' ILE . 46.4 mt-10 -123.98 167.57 13.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.107 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 72.86 2.72 4.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.855 0.862 . . . . 25.0 110.56 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.99 -172.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 114.591 -1.186 . . . . 25.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.3 p -73.6 160.68 81.66 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 172.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -40.95 130.02 2.89 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 122.262 1.844 . . . . 25.0 113.555 -140.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.21 17.61 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.121 -1.399 . . . . 25.0 113.14 -165.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -123.93 172.03 9.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 113.537 -1.665 . . . . 25.0 111.116 -168.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 30.3 tp -126.97 109.64 12.14 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -109.63 114.43 28.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.135 -170.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 83.4 t90 -92.43 127.58 37.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.425 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 94.3 mtt-85 -111.36 162.7 14.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.151 -0.931 . . . . 25.0 110.993 170.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.515 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.7 p -76.4 172.57 12.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.373 -0.83 . . . . 25.0 108.995 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.6 m -56.98 -28.74 62.63 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 118.817 0.735 . . . . 25.0 112.433 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.2 -27.07 13.7 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.027 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 30' ' ' ARG . . . 96.14 18.39 31.63 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.608 -0.724 . . . . 25.0 113.505 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -66.72 -27.64 67.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.642 0.377 . . . . 25.0 110.515 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' NZ ' HG21 ' A' ' 12' ' ' VAL . 90.3 mttt -109.86 135.41 50.8 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.196 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 45.6 t -144.64 131.51 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 120.665 0.269 . . . . 25.0 111.455 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.465 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -125.71 148.41 49.05 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.491 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 100.0 m -129.35 127.65 41.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.907 0.384 . . . . 25.0 111.844 -175.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 94.9 t -112.24 107.16 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.13 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -81.74 120.9 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -73.76 -22.99 59.67 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -171.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.4 p -68.3 -2.26 7.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.072 0.463 . . . . 25.0 111.052 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -115.24 3.83 14.36 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.198 -0.91 . . . . 25.0 110.127 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.1 mm -112.22 141.94 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.772 -176.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -109.97 -47.62 3.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.535 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HB2' HD12 ' A' ' 63' ' ' ILE . 99.7 mttt -133.16 175.0 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 120.774 0.321 . . . . 25.0 111.79 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.03 131.01 14.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.711 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 95.5 mt-30 -129.13 113.89 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.668 0.27 . . . . 25.0 111.625 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.42 153.35 28.76 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.835 HG23 ' HG2' ' A' ' 59' ' ' MET . 1.1 p -70.82 122.12 85.87 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.621 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.93 163.21 11.83 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.657 2.238 . . . . 25.0 112.853 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 -9.0 58.12 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.682 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -92.95 -18.3 22.91 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.031 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -74.34 138.75 43.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.201 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.724 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -64.01 -17.96 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.085 -0.961 . . . . 25.0 111.95 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.6 ' CB ' HG21 ' A' ' 51' ' ' THR . 63.6 mttm -94.43 156.14 16.62 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.542 -1.208 . . . . 25.0 113.119 -171.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.1 mtm -127.04 99.05 5.55 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.821 -1.082 . . . . 25.0 109.238 170.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.835 ' HG2' HG23 ' A' ' 51' ' ' THR . 3.4 ptm -155.69 155.02 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.605 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 16.5 tp -136.58 118.56 15.3 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.031 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.694 ' NH2' ' HA ' ' B' ' 539' ' ' ASP . 43.4 ttm180 -101.68 147.32 26.59 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.222 0.534 . . . . 25.0 111.927 -175.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.644 HD11 HD13 ' A' ' 104' ' ' LEU . 3.6 mm? -128.4 104.01 7.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.919 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.678 HG12 ' HG2' ' A' ' 86' ' ' ARG . 81.7 mt -85.61 137.77 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.158 -0.473 . . . . 25.0 109.933 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.27 165.65 30.29 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.788 -0.642 . . . . 25.0 113.771 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.43 132.95 34.76 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 123.2 0.6 . . . . 25.0 111.728 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 84' ' ' PRO . 42.9 t -118.76 134.86 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.902 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -98.4 84.25 3.18 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.09 -1.38 0.96 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -76.41 -3.99 39.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.6 0.36 . . . . 25.0 111.471 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -89.71 27.56 1.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.961 0.504 . . . . 25.0 111.098 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.9 125.76 7.87 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -107.04 151.44 25.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.731 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.07 140.01 52.59 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.6 p30 -80.92 -170.74 2.83 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.256 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -55.8 -32.19 63.3 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.13 -18.4 23.59 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -176.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.08 22.88 8.46 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.543 -0.36 . . . . 25.0 113.124 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -89.43 148.12 23.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 81' ' ' VAL . 87.6 tt0 -73.97 117.58 15.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.381 -174.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.1 t -124.44 99.85 6.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.212 -0.904 . . . . 25.0 109.187 173.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 79' ' ' GLU . 50.4 t -98.47 124.88 45.01 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.696 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.64 135.06 43.59 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.758 2.306 . . . . 25.0 113.278 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 74.7 mmtt -95.07 162.0 26.38 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.756 -175.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -70.32 151.34 65.82 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.251 1.967 . . . . 25.0 113.29 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -92.73 131.23 37.98 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.006 -0.997 . . . . 25.0 110.854 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.678 ' HG2' HG12 ' A' ' 63' ' ' ILE . 90.4 mtt180 -112.62 114.77 27.56 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.745 -0.662 . . . . 25.0 110.249 -177.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 9.5 m-70 -97.33 112.26 24.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.602 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 74.1 mtm -106.95 136.51 46.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.003 -174.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.0 m-85 -126.4 130.16 50.19 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.309 -0.86 . . . . 25.0 109.976 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.793 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 39.9 m -83.89 142.7 30.39 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.988 0.423 . . . . 25.0 111.297 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HE2' HG12 ' A' ' 96' ' ' VAL . 11.2 m-85 -125.76 176.45 6.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.412 -0.813 . . . . 25.0 111.751 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -122.42 -17.57 7.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.874 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -142.31 143.45 32.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.592 0.357 . . . . 25.0 111.039 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 5.4 mpt_? -79.0 -18.16 54.13 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.75 -0.659 . . . . 25.0 112.41 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.15 -19.29 54.32 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.337 0.398 . . . . 25.0 111.244 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.414 HG12 ' HE2' ' A' ' 91' ' ' PHE . 74.5 t -82.72 -59.84 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.424 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 25.4 ptp -48.46 -40.71 27.28 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -69.8 -21.22 63.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.426 0.454 . . . . 25.0 111.935 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.94 -29.37 22.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.842 0.457 . . . . 25.0 111.713 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -78.83 -54.49 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.15 -42.11 63.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 25.0 112.891 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 ttp -55.91 -56.85 15.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.834 0.453 . . . . 25.0 111.599 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -54.81 -58.48 7.41 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.451 0.469 . . . . 25.0 110.124 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 42' ' ' LEU . 86.4 mt -43.7 -59.5 2.18 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.872 0.869 . . . . 25.0 110.935 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -52.1 -30.76 27.63 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.71 -19.72 34.74 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.58 -43.57 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.379 0.672 . . . . 25.0 111.675 175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 42' ' ' LEU . 58.6 mt -70.25 -38.97 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.097 0.159 . . . . 25.0 111.242 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -60.48 -17.14 43.04 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.656 0.597 . . . . 25.0 112.071 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -79.51 -43.66 22.7 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.577 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -80.47 -3.33 49.54 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.416 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -89.3 -28.37 19.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.298 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -91.33 -33.71 15.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.228 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.7 89.33 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.935 0.894 . . . . 25.0 112.487 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 117.91 -1.043 . . . . 25.0 111.363 179.325 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.562 -0.215 . . . . 25.0 112.562 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 13.9 t -118.28 132.96 23.53 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 122.417 0.287 . . . . 25.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.43 -17.34 27.07 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.586 2.191 . . . . 25.0 113.915 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 139.14 -140.05 10.61 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.375 0.422 . . . . 25.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 57.13 85.19 0.19 Allowed Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.843 0.857 . . . . 25.0 112.133 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.28 128.67 14.02 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.704 2.269 . . . . 25.0 112.931 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -135.76 124.28 23.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.159 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 121.98 -48.37 0.96 Allowed Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.889 -0.596 . . . . 25.0 113.099 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.17 143.83 51.17 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.974 0.416 . . . . 25.0 111.319 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 50.9 tp -132.91 95.56 3.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.242 -0.89 . . . . 25.0 109.32 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.6 m 60.48 28.72 18.39 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.74 0.816 . . . . 25.0 111.758 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -106.74 -11.77 25.91 Favored Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.57 -0.741 . . . . 25.0 113.302 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -127.99 11.49 6.57 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.903 0.382 . . . . 25.0 110.353 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -93.77 11.47 29.09 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.273 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -96.1 9.26 41.44 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.226 -0.897 . . . . 25.0 111.409 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -72.22 -7.07 47.26 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.743 0.645 . . . . 25.0 112.743 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 95.6 p -82.48 -4.01 56.77 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.565 0.346 . . . . 25.0 111.773 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.7 p -87.8 -33.02 18.77 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.211 -0.449 . . . . 25.0 110.699 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.32 -26.29 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.384 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -84.15 4.24 31.36 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.258 0.551 . . . . 25.0 111.281 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.694 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 16.3 t70 -98.05 -26.68 14.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.911 -1.041 . . . . 25.0 109.412 174.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -75.5 -19.54 59.32 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.327 -0.851 . . . . 25.0 110.595 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -73.3 -31.56 64.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.776 -1.102 . . . . 25.0 113.123 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.711 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 12.2 t80 -76.79 -17.27 59.13 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 -173.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -76.97 -16.58 59.3 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.08 -19.47 23.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.981 0.364 . . . . 25.0 111.981 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 98.4 mt -87.22 -40.35 14.63 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 37.8 tp -85.88 -16.97 36.87 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.911 0.386 . . . . 25.0 110.918 -175.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 49.7 m -100.44 -53.36 3.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.358 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 50.1 98.04 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.15 0.98 . . . . 25.0 112.836 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -114.92 122.45 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.818 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 31.2 t -117.48 134.02 55.32 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.734 -0.667 . . . . 25.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.655 -0.688 . . . . 25.0 110.679 -179.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 N--CA 1.485 1.006 0 N-CA-C 111.269 -0.32 . . . . 25.0 111.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' SER . 77.7 p -126.23 -39.5 2.06 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.332 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.59 ' HA ' HD12 ' A' ' 18' ' ' ILE . 60.6 m170 69.54 -26.54 0.15 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.341 1.056 . . . . 25.0 112.953 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 39.0 t -135.24 140.4 45.21 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.793 0.33 . . . . 25.0 111.281 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.39 -117.0 0.85 Allowed Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.025 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.55 127.49 14.51 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.635 0.374 . . . . 25.0 110.298 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.25 155.46 43.87 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 81.6 mt -112.72 139.36 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.597 -0.729 . . . . 25.0 109.231 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -142.29 120.84 12.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.053 -0.521 . . . . 25.0 109.64 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' B' ' 531' ' ' ASP . 67.7 mt-10 61.72 40.8 12.68 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.743 0.817 . . . . 25.0 111.952 -178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 71.57 -7.0 1.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.656 1.183 . . . . 25.0 113.57 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.6 t -94.55 125.17 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.7 t -84.32 137.37 33.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.482 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.8 -158.06 8.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.072 -0.967 . . . . 25.0 112.971 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' GLY . 14.9 mt -125.4 137.58 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.233 -0.484 . . . . 25.0 109.753 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.563 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.82 137.85 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.725 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.64 141.01 41.19 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.497 0.498 . . . . 25.0 111.26 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 3' ' ' HIS . 92.8 mt -97.05 130.26 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.168 0.509 . . . . 25.0 110.17 176.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.6 106.44 18.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.455 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -122.36 168.1 12.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.637 -0.711 . . . . 25.0 109.157 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 72.72 2.26 4.29 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.833 0.853 . . . . 25.0 111.658 -171.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -101.67 -171.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.202 -1.363 . . . . 25.0 109.76 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -73.24 166.51 43.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 106.128 -1.805 . . . . 25.0 106.128 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.44 129.17 3.49 Favored 'Trans proline' 0 C--N 1.375 1.969 0 CA-C-N 122.411 1.897 . . . . 25.0 113.284 -143.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.44 138.43 17.26 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 114.367 -1.288 . . . . 25.0 113.17 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.74 172.29 8.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 113.599 -1.637 . . . . 25.0 111.162 -168.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 39.4 tp -127.47 109.9 12.22 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 173.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -109.01 112.03 24.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.337 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 78.1 t90 -87.76 133.78 33.8 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.331 -0.849 . . . . 25.0 109.49 170.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -127.19 159.3 34.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.493 173.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 80.6 p -68.14 169.01 11.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 -28.62 58.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -99.89 -30.4 12.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.448 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.07 16.81 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.701 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.62 -27.78 65.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.587 0.355 . . . . 25.0 111.499 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 0.2 OUTLIER -109.5 142.33 40.68 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 174.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.29 136.95 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.598 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 93.3 m-70 -133.2 145.76 50.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.36 176.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -128.96 131.06 47.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.062 0.458 . . . . 25.0 112.02 -174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 3.4 t -114.42 107.64 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.987 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.57 121.13 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD11 HD22 ' A' ' 104' ' ' LEU . 3.5 mm? -74.53 -20.84 59.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.488 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -69.01 -4.62 17.61 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.241 0.543 . . . . 25.0 110.416 175.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 p -115.24 6.28 14.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.834 -1.076 . . . . 25.0 110.139 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.3 mm -113.56 142.63 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.665 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.95 -45.65 3.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.49 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 57.1 mttp -132.32 168.59 17.83 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 47' ' ' LYS . 4.9 mt -147.96 136.12 21.3 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -135.76 119.24 16.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.388 0.137 . . . . 25.0 111.045 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 144.39 41.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 57' ' ' LYS . 73.4 p -62.68 120.97 64.8 Favored Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 123.192 0.597 . . . . 25.0 111.514 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -54.55 163.21 3.92 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.969 2.446 . . . . 25.0 113.452 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.26 -11.27 60.83 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.8 -0.636 . . . . 25.0 112.041 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -95.66 -17.48 21.28 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.331 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -70.75 138.01 50.12 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.41 -30.79 41.98 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.378 -1.283 . . . . 25.0 112.394 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 51' ' ' THR . 57.0 mttp -90.74 145.83 24.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 113.766 -1.561 . . . . 25.0 112.928 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' HG3' ' A' ' 59' ' ' MET . 91.5 mmm -117.59 97.54 5.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.375 -0.83 . . . . 25.0 109.172 167.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 88' ' ' MET . 38.8 mtt -154.8 150.85 27.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.88 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 tp -127.97 119.37 25.36 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.944 -1.025 . . . . 25.0 109.203 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -101.38 147.24 26.56 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.207 0.527 . . . . 25.0 112.21 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -128.24 106.19 8.87 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.768 -1.105 . . . . 25.0 110.026 178.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.652 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 91.3 mt -85.0 129.88 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 116.075 -0.511 . . . . 25.0 109.727 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.27 168.62 38.81 Favored Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.837 -0.619 . . . . 25.0 113.891 -174.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -90.5 112.29 23.89 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.541 0.686 . . . . 25.0 112.367 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.68 148.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.441 -1.254 . . . . 25.0 110.414 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -91.68 93.93 9.14 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.444 -0.798 . . . . 25.0 110.501 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 82' ' ' PRO . 99.3 mt-10 -86.31 -4.04 59.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.783 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -68.96 -18.53 64.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.884 0.373 . . . . 25.0 110.678 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 81' ' ' VAL . 99.1 mttt -97.51 129.68 44.65 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.963 172.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 81' ' ' VAL . 67.3 mttt -100.71 145.65 28.2 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.567 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 80' ' ' VAL . 39.1 mtp-105 -110.71 154.42 23.91 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.66 143.07 51.18 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -87.47 -169.59 2.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.751 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.09 -31.59 63.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -92.08 -18.12 24.03 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.22 8.06 Favored Glycine 0 C--N 1.34 0.796 0 C-N-CA 121.492 -0.385 . . . . 25.0 113.189 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -91.03 142.35 27.86 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -72.91 100.81 3.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 111.182 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 59.4 t -106.78 99.88 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.416 173.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 70' ' ' LYS . 13.7 t -92.44 126.32 52.85 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.387 -172.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 37.7 Cg_endo -58.48 128.64 29.13 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 123.448 2.765 . . . . 25.0 114.209 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -96.97 156.81 35.97 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 114.873 -1.058 . . . . 25.0 111.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.55 152.51 70.4 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 123.01 2.473 . . . . 25.0 113.866 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -92.43 138.73 31.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.759 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 63' ' ' ILE . 92.7 mtt180 -114.66 121.71 44.24 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.951 -0.568 . . . . 25.0 110.817 -173.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 95.4 m-70 -97.18 112.98 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.766 -0.652 . . . . 25.0 110.746 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.453 ' SD ' ' SD ' ' A' ' 59' ' ' MET . 63.1 ttp -104.13 137.98 41.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.526 0.679 . . . . 25.0 111.658 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 75.8 m-85 -116.7 164.0 15.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 114.32 -1.309 . . . . 25.0 108.326 172.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.802 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 67.4 m -121.32 135.88 55.04 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.315 0.579 . . . . 25.0 111.114 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD2' ' HG3' ' A' ' 97' ' ' MET . 11.1 m-85 -121.86 176.5 5.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.886 -1.052 . . . . 25.0 111.84 -172.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.59 -19.88 7.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.898 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.586 0.355 . . . . 25.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -74.38 -19.66 60.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.432 178.066 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.6 p -73.9 -20.35 60.42 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.246 0.341 . . . . 25.0 111.224 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HE2' ' A' ' 91' ' ' PHE . 87.3 t -82.97 -57.93 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.535 ' HG3' ' CD2' ' A' ' 91' ' ' PHE . 78.8 mtm -49.56 -43.05 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -70.29 -21.35 62.96 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.82 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.1 -37.93 15.82 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.958 0.503 . . . . 25.0 112.14 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.74 -52.89 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -53.89 -42.3 68.51 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.849 0.859 . . . . 25.0 111.964 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.9 ttp -51.65 -52.2 49.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.163 0.585 . . . . 25.0 111.75 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -61.6 -57.91 10.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 HD11 ' A' ' 42' ' ' LEU . 96.0 mt -43.72 -58.8 2.51 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.007 0.923 . . . . 25.0 110.866 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -48.79 -33.24 10.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.309 1.043 . . . . 25.0 113.326 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -83.33 -20.3 34.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.24 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.0 -41.93 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.177 0.591 . . . . 25.0 111.897 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 48' ' ' LEU . 59.2 mt -69.18 -35.73 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 117.967 0.349 . . . . 25.0 110.791 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.7 p -63.63 -18.03 63.51 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.601 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -76.87 -41.37 44.17 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.674 172.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 65.9 m-85 -86.53 1.29 52.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.391 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -92.4 -31.84 15.16 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.997 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -89.72 -33.8 16.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.329 -0.85 . . . . 25.0 111.203 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.84 87.4 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.036 0.934 . . . . 25.0 112.539 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.966 -1.016 . . . . 25.0 111.302 179.328 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.482 -0.247 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 34.5 t 59.45 101.15 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.31 0 C-N-CA 123.989 0.916 . . . . 25.0 111.912 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.57 144.34 97.62 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.862 2.375 . . . . 25.0 113.467 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -153.46 -86.28 0.05 OUTLIER Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.767 -0.651 . . . . 25.0 112.429 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -118.68 96.24 49.8 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.262 -0.273 . . . . 25.0 110.262 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.604 ' CB ' HD21 ' B' ' 528' ' ' LEU . 37.2 Cg_exo -69.22 136.58 34.83 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.619 2.213 . . . . 25.0 112.941 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -135.95 130.07 33.13 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.357 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.1 -102.65 0.89 Allowed Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.984 -0.553 . . . . 25.0 112.871 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.45 123.35 50.09 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.846 0.355 . . . . 25.0 110.287 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.604 HD21 ' CB ' ' B' ' 524' ' ' PRO . 64.8 mt -122.49 -2.49 8.94 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.518 -0.765 . . . . 25.0 110.475 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 -49.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.986 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 107.24 74.38 0.88 Allowed Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.118 -0.492 . . . . 25.0 112.754 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 10' ' ' GLU . 26.5 t70 -114.13 -2.64 13.39 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.927 0.394 . . . . 25.0 111.237 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -106.27 10.22 31.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.415 -0.811 . . . . 25.0 112.301 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -95.0 -38.47 10.65 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.403 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.24 -10.25 20.52 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 61.0 p -85.81 -3.24 58.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.221 0.326 . . . . 25.0 111.718 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.8 p -86.21 -34.47 20.47 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.807 175.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -90.86 -27.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.516 175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -84.94 9.51 14.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.392 0.615 . . . . 25.0 111.163 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -32.23 12.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.871 -1.058 . . . . 25.0 109.514 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.2 mmm -73.66 -17.7 61.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.971 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 74.2 m-20 -73.76 -32.7 63.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.083 -0.962 . . . . 25.0 112.357 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.73 -23.24 39.58 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -173.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.01 -18.07 44.6 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.36 -17.15 26.32 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.763 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 76.0 mt -86.85 -38.43 16.8 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.743 0.645 . . . . 25.0 112.743 -177.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 97.3 mt -78.43 -28.43 46.73 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.9 0.381 . . . . 25.0 111.002 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 78.2 p -90.76 -57.89 2.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.203 -0.908 . . . . 25.0 111.085 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 52.32 100.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.0 0.92 . . . . 25.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.28 111.79 29.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.768 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.7 m -119.81 139.5 52.24 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.751 -0.642 . . . . 25.0 110.74 -179.755 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 N--CA 1.489 1.229 0 N-CA-C 111.747 -0.136 . . . . 25.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -113.66 -46.42 3.04 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.307 0.379 . . . . 25.0 111.306 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.618 ' CD2' HG21 ' A' ' 103' ' ' THR . 62.0 m170 67.43 -18.2 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.358 1.063 . . . . 25.0 113.72 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.5 p -141.12 149.1 41.12 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.815 0.341 . . . . 25.0 111.436 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.24 -118.64 0.63 Allowed Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.084 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.69 126.88 12.95 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.741 0.416 . . . . 25.0 110.168 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.16 151.51 40.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 95.7 mt -110.52 138.9 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.405 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -142.29 116.77 9.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.697 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 62.94 42.19 7.8 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.888 0.875 . . . . 25.0 111.967 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HG2' ' OD2' ' B' ' 531' ' ' ASP . 76.1 mmtt 69.28 -7.46 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.638 1.175 . . . . 25.0 113.88 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HD2' ' A' ' 36' ' ' LYS . 94.4 t -93.84 116.39 34.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 173.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.433 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -78.45 141.03 38.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.916 -0.583 . . . . 25.0 111.404 -175.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.3 -157.9 8.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.102 -0.954 . . . . 25.0 112.994 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.66 138.64 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.132 -0.534 . . . . 25.0 109.666 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.83 139.13 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.445 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . . . -136.73 145.88 45.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.999 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 3' ' ' HIS . 97.2 mt -103.51 139.15 25.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.307 0.575 . . . . 25.0 110.058 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.5 t30 -106.57 99.38 8.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.399 -175.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 107' ' ' ILE . 71.2 mt-10 -121.83 167.25 13.23 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 176.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 72.86 1.61 4.08 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.0 0.92 . . . . 25.0 110.438 -170.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -103.48 -173.18 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 114.592 -1.185 . . . . 25.0 110.066 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -74.47 163.05 70.98 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 106.074 -1.824 . . . . 25.0 106.074 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -42.38 130.01 4.87 Favored 'Trans proline' 0 C--N 1.374 1.886 0 CA-C-N 122.188 1.817 . . . . 25.0 113.133 -143.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -49.09 138.07 12.53 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.346 -1.297 . . . . 25.0 112.863 -164.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -132.35 137.15 47.29 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.872 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 17' ' ' ALA . 27.5 tp -95.2 110.53 22.49 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.6 m -104.05 107.84 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 113.977 -1.465 . . . . 25.0 110.724 -171.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 83.0 t90 -84.43 134.76 34.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.779 -0.646 . . . . 25.0 109.309 171.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.99 148.72 50.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.505 -0.771 . . . . 25.0 109.639 173.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.645 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 88.1 p -68.49 158.65 33.34 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 173.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -53.16 -20.08 3.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.531 0.938 . . . . 25.0 113.531 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -101.19 -31.55 10.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.448 0.468 . . . . 25.0 110.821 171.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.98 17.18 33.22 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.605 -0.725 . . . . 25.0 113.032 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -75.78 -28.21 58.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.648 0.379 . . . . 25.0 110.051 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 56.7 mttp -106.49 137.21 44.89 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.342 173.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.03 132.93 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-O 120.776 0.322 . . . . 25.0 111.725 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.502 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.5 m-70 -125.92 149.38 48.76 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.647 -0.706 . . . . 25.0 109.554 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.29 142.24 50.89 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.865 0.364 . . . . 25.0 111.672 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 74.1 t -131.92 107.49 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.341 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.78 118.72 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 174.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 107' ' ' ILE . 71.3 mt -77.88 -18.07 56.61 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -69.8 -3.63 16.48 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.267 0.556 . . . . 25.0 110.542 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -115.27 1.95 13.91 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.921 -1.036 . . . . 25.0 110.292 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 63' ' ' ILE . 39.9 mm -105.8 142.99 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.095 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -110.79 -46.94 3.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.79 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 15.8 mttp -131.2 166.83 20.29 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -176.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.02 130.17 15.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.747 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 98.2 mt-30 -131.43 114.79 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 -174.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.01 34.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.2 p -68.71 122.31 84.35 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.52 0.728 . . . . 25.0 111.735 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.02 162.7 8.75 Favored 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.783 2.322 . . . . 25.0 113.075 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.42 -8.53 55.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.786 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -95.82 -18.18 20.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.117 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -72.94 137.9 45.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.124 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.695 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.1 mp0 -62.42 -18.57 62.0 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.129 -0.941 . . . . 25.0 111.946 176.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -94.48 155.73 16.8 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.581 -1.19 . . . . 25.0 112.998 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' SER . 73.3 mtm -128.18 98.39 5.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.641 -1.163 . . . . 25.0 108.914 170.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 75.4 mtm -154.19 153.83 32.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.446 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -136.39 118.4 15.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.871 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -106.13 146.58 30.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.113 0.482 . . . . 25.0 111.809 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 23.6 mt -128.01 104.81 8.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.289 -175.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.67 HG12 ' HG2' ' A' ' 86' ' ' ARG . 71.3 mt -85.33 136.25 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.922 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.08 139.36 14.44 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.135 -0.484 . . . . 25.0 113.551 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.12 135.48 49.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.781 0.833 . . . . 25.0 112.014 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.43 132.18 42.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.098 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -106.86 89.75 3.1 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.353 -0.84 . . . . 25.0 109.187 170.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -86.95 -2.07 58.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.971 -0.559 . . . . 25.0 112.366 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -75.28 -11.87 60.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.856 0.36 . . . . 25.0 111.602 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.05 37.98 1.27 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.856 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -45.2 117.85 1.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.097 0.959 . . . . 25.0 112.459 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -102.12 153.21 20.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.122 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.3 148.05 50.24 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.329 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -84.79 -174.79 5.47 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.19 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -55.74 -31.81 62.85 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.884 1.068 . . . . 25.0 113.884 -174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -91.8 -20.18 21.77 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.833 0.308 . . . . 25.0 111.833 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.95 25.33 5.94 Favored Glycine 0 C--N 1.339 0.737 0 O-C-N 123.32 0.387 . . . . 25.0 113.09 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -89.91 145.24 25.27 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.542 0.337 . . . . 25.0 110.178 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.717 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -74.0 118.22 16.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.096 0.474 . . . . 25.0 111.302 -175.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.57 100.87 7.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.071 -0.968 . . . . 25.0 109.233 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 59.6 t -94.66 126.99 45.37 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.209 -173.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -61.28 133.38 46.14 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.029 2.486 . . . . 25.0 113.713 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 97.9 mttt -95.44 163.1 22.39 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.553 -1.203 . . . . 25.0 111.903 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.2 Cg_endo -61.9 154.49 61.06 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.49 2.127 . . . . 25.0 114.071 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -91.99 163.29 14.05 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 114.822 -1.081 . . . . 25.0 109.579 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.67 ' HG2' HG12 ' A' ' 63' ' ' ILE . 93.3 mtm-85 -152.99 141.8 21.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.77 0.319 . . . . 25.0 110.354 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 16.0 m-70 -131.08 112.97 13.36 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.8 -175.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -100.38 143.19 30.85 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.956 0.408 . . . . 25.0 111.12 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.0 m-85 -136.3 127.8 28.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.311 -0.858 . . . . 25.0 109.615 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.829 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.1 m -83.89 145.66 28.48 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.844 0.354 . . . . 25.0 111.136 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.24 175.39 8.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.844 -173.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -121.53 -15.71 7.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.741 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -144.07 143.36 31.12 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.624 0.37 . . . . 25.0 111.253 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -77.94 -18.97 55.45 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.475 -0.784 . . . . 25.0 112.712 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -78.21 -21.22 50.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 123.182 0.301 . . . . 25.0 111.213 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.07 -62.7 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.9 ptp -47.39 -41.12 19.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.93 -23.93 63.29 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 123.35 0.406 . . . . 25.0 111.749 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.05 -31.08 20.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.028 0.531 . . . . 25.0 111.88 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mm -74.4 -55.55 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -51.72 -41.67 61.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.14 0.976 . . . . 25.0 112.515 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.2 ttp -60.65 -57.65 11.79 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.15 0.281 . . . . 25.0 111.061 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.618 HG21 ' CD2' ' A' ' 3' ' ' HIS . 41.3 m -50.13 -58.39 5.66 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.397 0.436 . . . . 25.0 109.855 176.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mp -43.98 -59.07 2.46 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.1 0.96 . . . . 25.0 111.062 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -56.45 -29.59 61.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.751 -0.658 . . . . 25.0 112.686 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.88 -20.61 52.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.665 0.386 . . . . 25.0 111.229 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 42' ' ' LEU . 85.6 mt -85.25 -42.72 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.558 0.743 . . . . 25.0 111.571 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.59 -33.33 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 122.658 0.383 . . . . 25.0 111.341 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -65.65 -17.97 64.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.749 0.655 . . . . 25.0 111.442 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -79.44 -42.96 24.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.785 0.434 . . . . 25.0 110.721 173.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.1 -5.14 57.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.162 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -85.23 -31.43 23.16 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.998 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -96.65 -22.91 16.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.285 -0.871 . . . . 25.0 111.162 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.59 73.66 1.51 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.665 0.745 . . . . 25.0 110.951 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 63.3 t0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.907 -1.044 . . . . 25.0 110.433 177.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.534 -0.226 . . . . 25.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.4 t -109.47 125.69 30.82 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.32 0.248 . . . . 25.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.56 -21.52 16.84 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.452 2.101 . . . . 25.0 113.872 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 128.26 -29.01 4.18 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 123.47 0.481 . . . . 25.0 112.966 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 59.14 88.64 0.12 Allowed Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 123.971 0.908 . . . . 25.0 111.952 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -69.69 -40.05 5.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.592 2.195 . . . . 25.0 113.109 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -130.6 133.72 46.4 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.26 121.82 3.65 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.318 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt 60.69 113.64 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.15 0.98 . . . . 25.0 111.205 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 85.3 mt -126.34 -2.27 6.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.655 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 46.5 t -154.68 -63.73 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.38 -0.827 . . . . 25.0 110.358 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.16 89.05 0.81 Allowed Glycine 0 C--N 1.345 1.06 0 C-N-CA 121.416 -0.421 . . . . 25.0 112.452 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . 0.583 ' OD2' ' HG2' ' A' ' 11' ' ' LYS . 23.6 t0 -125.13 -7.35 7.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.732 0.301 . . . . 25.0 110.988 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -106.08 -8.03 17.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.925 -0.58 . . . . 25.0 111.837 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -116.88 -26.24 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.948 -1.024 . . . . 25.0 111.094 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.474 ' HD2' HD11 ' B' ' 537' ' ' ILE . 88.6 m-85 -94.13 -2.5 52.59 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -176.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 96.0 p -82.36 -3.87 56.26 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.68 0.276 . . . . 25.0 111.52 175.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 93.5 p -84.58 -33.77 23.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.43 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . 0.474 HD11 ' HD2' ' B' ' 534' ' ' PHE . 27.2 pt -91.26 -20.82 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.612 -0.722 . . . . 25.0 110.707 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -82.32 6.18 17.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.359 0.599 . . . . 25.0 111.607 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -89.09 -26.79 21.18 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.827 170.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.5 mmm -76.44 -21.66 55.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.713 170.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.04 -35.41 69.33 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.287 -0.87 . . . . 25.0 112.427 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.747 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 10.2 t80 -84.43 -19.35 33.58 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -174.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -76.15 -16.77 59.81 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.46 -22.29 20.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.22 -31.85 21.5 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 35.2 tp -90.18 -15.35 31.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.868 0.366 . . . . 25.0 110.967 -176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 87.8 p -106.76 42.7 1.25 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.398 -0.819 . . . . 25.0 110.601 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.93 4.23 34.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.445 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 72.0 mt -101.77 114.73 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.823 0.344 . . . . 25.0 111.334 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 74.9 m -124.27 140.88 52.53 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.035 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.773 -0.632 . . . . 25.0 110.943 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.482 0.832 0 N-CA-C 111.388 -0.274 . . . . 25.0 111.388 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -137.09 123.12 20.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.783 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 55.4 m170 -87.13 -2.44 58.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.397 -0.819 . . . . 25.0 111.019 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 53.9 p -147.3 151.02 35.91 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.728 -176.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.17 -113.29 0.34 Allowed Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.16 -0.927 . . . . 25.0 111.843 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.94 129.63 12.31 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 122.645 0.378 . . . . 25.0 110.43 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.06 153.63 40.94 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 90' ' ' SER . 75.0 mt -112.36 139.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.324 175.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -143.24 119.84 11.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.869 -0.605 . . . . 25.0 109.542 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 61.5 41.67 12.3 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.761 0.824 . . . . 25.0 112.04 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 70.17 -7.42 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.588 1.155 . . . . 25.0 113.698 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 36' ' ' LYS . 98.7 t -95.4 120.14 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -81.83 139.78 34.55 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.66 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.56 -156.42 7.85 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.232 -0.895 . . . . 25.0 113.109 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -126.87 139.76 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.071 -0.564 . . . . 25.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -101.95 136.77 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.557 -178.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.88 146.34 45.43 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.2 -0.455 . . . . 25.0 111.093 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.504 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 91.3 mt -105.02 131.85 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.307 0.575 . . . . 25.0 110.552 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.5 105.07 17.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.505 -1.225 . . . . 25.0 111.196 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 52.0 mt-10 -123.1 167.73 13.29 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 173.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 61.1 m-20 73.94 1.95 4.05 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 123.882 0.873 . . . . 25.0 110.494 -172.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' SER . 30.5 m -103.21 -172.25 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 114.555 -1.202 . . . . 25.0 110.075 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.6 164.75 58.79 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 106.078 -1.823 . . . . 25.0 106.078 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -41.47 129.22 3.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 CA-C-N 122.29 1.854 . . . . 25.0 113.182 -142.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.7 21.56 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.401 -1.272 . . . . 25.0 113.092 -164.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.7 mt-10 -125.55 171.46 10.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 113.703 -1.59 . . . . 25.0 110.771 -168.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 62' ' ' LEU . 22.2 tp -123.03 122.43 38.48 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 167.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.55 108.42 16.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.671 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.423 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.4 t90 -84.75 134.33 34.33 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.615 -0.721 . . . . 25.0 109.433 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' NH2' ' HA3' ' A' ' 34' ' ' GLY . 56.8 mtp180 -125.22 152.08 45.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.371 -0.831 . . . . 25.0 109.643 172.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 95.7 p -69.19 161.01 30.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.8 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -51.6 -28.72 14.98 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -96.45 -27.2 15.01 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.048 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' HA3' ' NH2' ' A' ' 30' ' ' ARG . . . 94.09 17.2 41.3 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.804 -0.634 . . . . 25.0 113.193 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -74.32 -29.55 61.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 122.76 0.424 . . . . 25.0 110.789 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 34.9 mttp -106.44 139.02 41.57 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.573 -0.74 . . . . 25.0 109.309 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 p -148.86 129.42 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 120.805 0.335 . . . . 25.0 111.743 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.423 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 95.8 m-70 -123.4 147.57 46.98 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.778 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -129.3 142.04 50.94 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.111 0.482 . . . . 25.0 111.707 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 62' ' ' LEU . 40.0 t -129.22 107.69 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.529 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.21 121.36 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.628 HD11 HD22 ' A' ' 104' ' ' LEU . 2.8 mm? -74.75 -22.08 58.99 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -172.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 97.7 p -66.06 -12.16 53.53 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.859 0.361 . . . . 25.0 111.3 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.38 16.21 16.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.521 -0.763 . . . . 25.0 110.827 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 63' ' ' ILE . 45.8 mm -110.6 139.35 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.127 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -106.36 -48.44 3.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.568 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HB2' HD12 ' A' ' 63' ' ' ILE . 96.8 mttt -133.52 176.47 8.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.295 0.569 . . . . 25.0 112.047 -179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 127.08 10.44 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.768 -1.106 . . . . 25.0 108.504 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -124.3 116.48 22.7 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.507 0.194 . . . . 25.0 110.828 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.48 148.77 32.44 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.319 -0.4 . . . . 25.0 112.056 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 p -68.47 121.32 80.27 Favored Pre-proline 0 N--CA 1.48 1.034 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.431 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -54.95 163.08 4.46 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.849 2.366 . . . . 25.0 113.363 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.71 60.16 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.969 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 p -95.45 -17.21 21.69 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.144 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 t -71.47 139.66 49.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.859 -0.61 . . . . 25.0 112.46 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 8.1 mp0 -57.49 -23.17 48.47 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.713 -1.131 . . . . 25.0 112.36 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' B' ' 541' ' ' ASP . 65.4 mttm -96.75 152.94 18.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.203 -1.362 . . . . 25.0 113.515 -169.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.41 ' C ' ' HG3' ' A' ' 59' ' ' MET . 75.7 mtm -124.53 98.31 5.68 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.02 169.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 68.8 mtp -155.47 157.14 36.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.337 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.1 tp -137.12 118.47 14.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.309 -0.859 . . . . 25.0 108.996 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -101.45 146.36 27.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.165 0.507 . . . . 25.0 111.882 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD13 HG11 ' A' ' 40' ' ' VAL . 91.6 mt -128.2 107.92 10.19 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.031 -0.986 . . . . 25.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG12 ' HG2' ' A' ' 86' ' ' ARG . 97.8 mt -90.55 140.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.211 -0.45 . . . . 25.0 109.799 -174.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.74 157.24 22.85 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 116.153 -0.476 . . . . 25.0 114.104 -173.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -83.79 111.9 19.61 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.325 0.583 . . . . 25.0 112.047 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.68 HG21 ' HA ' ' A' ' 84' ' ' PRO . 69.5 t -123.08 143.84 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.833 -1.076 . . . . 25.0 111.453 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -102.68 108.09 19.23 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.823 -1.081 . . . . 25.0 108.531 173.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.47 -1.94 58.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -82.29 2.46 31.97 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.869 0.366 . . . . 25.0 111.607 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.94 33.19 2.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.858 -0.61 . . . . 25.0 110.931 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -46.0 116.62 1.27 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.799 0.84 . . . . 25.0 112.037 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -102.08 154.98 18.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.698 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -126.14 143.84 50.98 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.036 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -85.02 -169.14 2.51 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.792 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.84 -31.43 64.76 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.471 0.915 . . . . 25.0 113.471 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.05 -22.28 20.83 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.35 22.69 8.04 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 121.473 -0.394 . . . . 25.0 113.2 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -92.02 146.0 24.09 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.1 pm0 -72.82 113.26 9.65 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.43 . . . . 25.0 111.322 -175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.44 100.79 11.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.246 -0.888 . . . . 25.0 109.078 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 58.2 t -94.35 122.48 61.17 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 115.376 -0.829 . . . . 25.0 111.469 -172.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 50.8 Cg_exo -64.63 124.34 13.09 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.041 2.494 . . . . 25.0 112.926 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.17 151.86 38.46 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.54 -175.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.68 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -73.85 148.21 40.56 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.336 2.024 . . . . 25.0 113.676 175.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -92.31 133.87 35.44 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.709 -1.132 . . . . 25.0 110.988 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HG2' HG12 ' A' ' 63' ' ' ILE . 81.7 mtm-85 -117.08 114.52 23.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.862 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.3 m-70 -97.03 112.72 24.35 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.682 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.1 mtm -101.68 142.38 33.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.948 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 59' ' ' MET . 95.7 m-85 -134.61 129.32 34.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.78 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.81 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 13.7 m -83.88 143.65 29.74 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.93 0.395 . . . . 25.0 111.297 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 97' ' ' MET . 13.6 m-85 -127.57 175.73 8.03 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.659 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -123.86 -17.06 6.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.814 -0.63 . . . . 25.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.43 130.22 16.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.469 0.308 . . . . 25.0 110.571 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.678 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.0 mpt_? -62.26 -18.0 60.0 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.4 p -76.71 -25.04 53.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.474 0.31 . . . . 25.0 111.524 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.57 -62.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.678 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 13.3 ptp -47.19 -30.07 2.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.205 1.002 . . . . 25.0 113.524 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.53 -35.23 46.51 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.034 0.209 . . . . 25.0 111.216 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.5 -31.01 57.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.007 0.523 . . . . 25.0 112.177 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -72.45 -53.4 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 172.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.84 -42.53 62.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.997 0.919 . . . . 25.0 112.111 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 ttp -55.14 -52.17 64.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.305 0.642 . . . . 25.0 111.639 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.5 m -60.65 -57.15 13.94 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.242 0.339 . . . . 25.0 110.157 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' LEU . 86.7 mt -43.78 -58.22 2.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.031 0.932 . . . . 25.0 110.914 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -50.7 -32.67 20.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.389 1.076 . . . . 25.0 113.288 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.65 -20.29 36.57 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -83.45 -44.98 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.5 0.72 . . . . 25.0 111.967 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.18 -40.16 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 117.812 0.278 . . . . 25.0 111.203 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 97.7 p -70.36 -14.69 62.68 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -69.0 -32.53 72.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 166.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 66.0 m-85 -91.81 -4.05 55.37 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.052 175.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 92.0 mttt -83.43 -34.73 25.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.842 0.457 . . . . 25.0 110.563 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -86.71 -36.36 18.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.329 -0.85 . . . . 25.0 111.31 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 52.36 83.22 0.06 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.959 0.904 . . . . 25.0 112.509 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.0 t0 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.781 1.232 . . . . 25.0 112.754 -179.301 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.424 -0.27 . . . . 25.0 112.424 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 36.6 t -101.44 109.11 58.09 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 122.364 0.266 . . . . 25.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -59.56 141.68 97.63 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.803 2.336 . . . . 25.0 113.463 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 126.71 78.78 0.29 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.79 -0.641 . . . . 25.0 112.426 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -115.25 111.61 44.48 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-O 119.507 -0.282 . . . . 25.0 110.884 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.07 144.56 92.88 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.488 2.125 . . . . 25.0 113.059 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -111.93 136.02 51.8 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.463 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -132.68 -50.37 0.09 OUTLIER Glycine 0 C--N 1.338 0.658 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.608 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.0 mt -107.23 122.91 47.48 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.991 0.424 . . . . 25.0 110.451 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 83.8 mt -124.91 -23.2 4.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.393 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 32.2 t -151.58 63.12 0.87 Allowed 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.48 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.99 -94.96 2.3 Favored Glycine 0 C--N 1.339 0.732 0 CA-C-N 115.559 -0.746 . . . . 25.0 112.847 -176.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -133.51 -19.78 2.11 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.72 0.295 . . . . 25.0 111.782 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -99.95 15.75 26.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.603 -0.726 . . . . 25.0 111.987 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -70.78 8.16 0.95 Allowed 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.123 -0.944 . . . . 25.0 112.944 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -98.78 -42.1 7.36 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 86.5 p -101.29 -3.81 28.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.988 -0.551 . . . . 25.0 111.518 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 70.8 m -89.14 -30.99 18.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.432 -0.349 . . . . 25.0 110.745 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.0 mt -85.28 -27.81 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.982 -0.554 . . . . 25.0 110.085 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.67 7.6 29.28 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.804 -0.635 . . . . 25.0 110.763 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' B' ' 535' ' ' SER . 36.7 t70 -90.44 -30.82 17.11 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.646 -1.161 . . . . 25.0 109.205 171.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.3 mmm -73.03 -19.84 61.11 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.12 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.534 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 91.5 m-20 -78.36 -35.03 47.94 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.227 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -26.58 27.04 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -172.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -78.82 -18.27 54.33 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.26 -13.56 32.48 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.96 -33.64 19.59 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.71 -25.36 33.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.915 0.388 . . . . 25.0 111.131 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 80.3 p -95.5 -52.2 4.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.019 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 51.21 93.15 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.027 0.931 . . . . 25.0 113.034 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 mt 58.11 78.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.886 0.874 . . . . 25.0 111.081 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 30.1 t 61.08 -73.45 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.418 1.087 . . . . 25.0 112.792 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.031 -0.985 . . . . 25.0 110.528 -179.618 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 N-CA-C 111.86 -0.092 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 4' ' ' SER . 29.5 t -116.77 -61.97 1.65 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.218 0.323 . . . . 25.0 111.375 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.668 ' CD2' HG21 ' A' ' 103' ' ' THR . 66.5 m170 67.52 -29.73 0.15 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.416 1.086 . . . . 25.0 113.272 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -131.77 144.79 51.2 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.9 0.381 . . . . 25.0 111.702 -176.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -152.25 -117.46 0.73 Allowed Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.194 -0.912 . . . . 25.0 111.766 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.56 127.57 14.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.579 0.352 . . . . 25.0 110.315 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.9 155.11 43.96 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.813 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 67.1 mt -113.7 140.04 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -143.84 116.91 8.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.085 -0.507 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 63.55 42.88 6.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.895 0.878 . . . . 25.0 112.019 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 70.84 -8.42 0.95 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.691 1.196 . . . . 25.0 113.747 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG21 ' HE2' ' A' ' 36' ' ' LYS . 72.1 t -93.6 121.99 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -82.1 138.12 34.86 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.326 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -153.14 -157.93 8.29 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.179 -0.919 . . . . 25.0 113.261 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 5' ' ' GLY . 97.4 mt -127.03 136.59 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 114.949 -0.625 . . . . 25.0 109.457 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' SER . 1.3 tt -100.68 136.02 34.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.636 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.23 138.57 40.27 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.554 0.534 . . . . 25.0 111.248 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 20' ' ' GLU . 94.5 mt -96.2 131.65 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.08 0.466 . . . . 25.0 110.246 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -98.98 104.79 16.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.877 -1.056 . . . . 25.0 111.195 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' OE2' HD11 ' A' ' 107' ' ' ILE . 66.5 mt-10 -121.91 167.91 12.51 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 173.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 73.42 2.14 4.2 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.907 0.883 . . . . 25.0 110.513 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.0 -172.43 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.8 164.35 61.8 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 105.295 -2.113 . . . . 25.0 105.295 171.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -41.58 129.65 3.71 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 122.623 1.972 . . . . 25.0 113.512 -141.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.94 139.58 22.05 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.288 -1.324 . . . . 25.0 113.069 -165.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -124.92 172.1 9.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.683 -1.598 . . . . 25.0 111.244 -167.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.667 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 40.6 tp -127.4 109.29 11.62 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.288 -1.005 . . . . 25.0 108.288 174.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 97.0 m -107.02 110.99 23.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.313 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.1 t90 -85.45 137.35 32.97 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.709 -0.678 . . . . 25.0 109.318 168.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 86.8 mtm180 -130.95 160.01 35.78 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.956 -1.02 . . . . 25.0 109.263 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 93.7 p -77.84 164.29 25.31 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -54.69 -31.75 58.39 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.505 0.558 . . . . 25.0 112.505 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.94 -31.26 12.64 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.439 171.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.58 18.16 13.51 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.472 -0.785 . . . . 25.0 113.798 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' OG ' ' A' ' 31' ' ' SER . 6.9 p-10 -69.99 -25.11 63.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.819 0.448 . . . . 25.0 111.302 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 17.5 mttp -112.96 139.93 48.2 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.789 -0.641 . . . . 25.0 109.447 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.85 128.41 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.697 0.284 . . . . 25.0 110.977 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.6 m-70 -125.95 145.02 50.45 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.908 -0.587 . . . . 25.0 109.538 177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.9 m -129.3 128.57 43.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.965 -175.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 58.7 t -112.96 107.62 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.088 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.92 120.87 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 104' ' ' LEU . 2.2 mm? -73.53 -22.97 59.96 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -170.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.8 p -67.46 -2.69 6.79 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.096 0.474 . . . . 25.0 110.906 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 p -115.21 3.83 14.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.208 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' ILE . 47.8 mm -111.96 143.22 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 109.784 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -112.39 -43.26 3.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.326 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.601 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 17.9 mttt -133.19 169.83 16.31 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.783 0.661 . . . . 25.0 112.783 -176.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.799 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -150.59 132.63 15.25 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.399 -0.819 . . . . 25.0 108.885 178.114 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -134.82 120.62 19.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.55 0.159 . . . . 25.0 110.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.04 147.52 37.06 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 p -63.34 122.53 76.38 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.345 0.658 . . . . 25.0 111.661 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.44 164.57 5.33 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.774 2.316 . . . . 25.0 113.355 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.627 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . . . -74.35 -9.61 58.77 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.954 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -96.79 -9.64 28.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.72 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 137.96 37.54 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 116.025 -0.534 . . . . 25.0 112.295 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.747 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 6.6 mp0 -61.25 -26.13 67.55 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.936 -1.029 . . . . 25.0 111.878 175.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -86.49 142.54 28.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.128 -1.396 . . . . 25.0 112.433 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.427 ' C ' ' HG3' ' A' ' 59' ' ' MET . 97.6 mmm -116.18 96.85 5.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.054 169.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.8 mtt -155.57 156.05 34.42 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.202 -173.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' PHE . 12.9 tp -133.13 119.83 20.45 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.959 -1.019 . . . . 25.0 109.219 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -101.31 145.01 29.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.156 0.503 . . . . 25.0 111.865 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 104' ' ' LEU . 4.1 mm? -126.82 106.31 9.25 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.998 -1.001 . . . . 25.0 110.014 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 46.4 mt -85.83 128.76 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.028 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.02 37.72 Favored Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.738 -0.664 . . . . 25.0 113.816 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -87.95 111.21 21.22 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.679 0.752 . . . . 25.0 112.802 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.73 148.94 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.159 -1.382 . . . . 25.0 110.028 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -87.99 100.29 12.8 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.665 -0.698 . . . . 25.0 110.179 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.08 -2.27 57.8 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.068 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -81.84 -21.24 37.69 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.559 0.344 . . . . 25.0 111.748 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -84.59 129.41 34.85 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.097 0.475 . . . . 25.0 111.181 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -96.39 122.28 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.219 -0.9 . . . . 25.0 111.873 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 68.2 ttp85 -110.11 142.27 41.82 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 171.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.59 144.39 50.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.808 0.337 . . . . 25.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -82.58 -170.11 2.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.769 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -57.34 -31.5 65.77 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -89.9 -23.21 21.67 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.96 17.4 13.06 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 121.51 -0.376 . . . . 25.0 113.379 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -87.21 147.24 25.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -71.26 119.55 15.55 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.991 0.424 . . . . 25.0 111.367 -174.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 37.3 t -123.62 99.5 6.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.082 -0.963 . . . . 25.0 108.869 172.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.529 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.9 t -90.29 125.14 61.06 Favored Pre-proline 0 CA--C 1.551 1.002 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.591 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_exo -57.76 129.98 36.28 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.077 2.518 . . . . 25.0 113.869 -172.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.23 141.09 22.76 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.469 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.1 152.85 80.22 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.373 2.049 . . . . 25.0 113.752 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -91.69 136.28 33.26 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.264 -0.88 . . . . 25.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 63' ' ' ILE . 80.9 mtt85 -117.7 120.23 37.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.617 -172.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m-70 -97.23 113.26 24.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.092 -0.504 . . . . 25.0 110.934 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -101.69 140.87 35.39 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.998 0.428 . . . . 25.0 111.499 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' MET . 91.2 m-85 -129.56 130.22 45.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.219 -0.901 . . . . 25.0 109.412 176.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.813 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 41.6 t -88.8 140.79 29.09 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.275 0.56 . . . . 25.0 111.784 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -124.15 176.29 6.49 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.891 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -122.26 -16.33 7.44 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.964 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -141.02 143.77 34.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.692 0.397 . . . . 25.0 111.034 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.627 ' CD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -80.68 -22.31 40.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -177.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -78.15 -19.47 53.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 123.067 0.229 . . . . 25.0 111.187 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.17 -62.56 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.965 -0.754 . . . . 25.0 108.965 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -39.26 21.85 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.087 0.555 . . . . 25.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.32 -22.04 61.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.682 -0.69 . . . . 25.0 112.748 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.05 -37.9 15.91 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.838 0.455 . . . . 25.0 112.124 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.72 -54.08 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -52.71 -42.87 65.25 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.795 0.838 . . . . 25.0 111.854 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.7 ttm -52.29 -53.44 44.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.195 0.598 . . . . 25.0 111.794 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.668 HG21 ' CD2' ' A' ' 3' ' ' HIS . 83.6 m -60.15 -57.58 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 176.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 62' ' ' LEU . 96.0 mt -43.73 -58.36 2.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.097 0.959 . . . . 25.0 110.958 176.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.427 ' OE1' HD13 ' A' ' 48' ' ' LEU . 70.2 tp60 -50.96 -31.04 16.59 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.253 1.021 . . . . 25.0 113.315 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.77 -20.38 33.42 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.044 -0.526 . . . . 25.0 111.043 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.477 HD11 ' OE2' ' A' ' 20' ' ' GLU . 96.6 mt -82.37 -43.82 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 C-N-CA 123.403 0.681 . . . . 25.0 111.666 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.95 -35.56 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 122.247 0.219 . . . . 25.0 111.131 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -63.7 -18.82 64.39 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.611 0.57 . . . . 25.0 111.888 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -78.07 -42.02 33.54 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.725 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -81.44 -3.52 53.17 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.591 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -89.79 -29.34 18.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.363 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -88.79 -34.73 16.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.529 -0.759 . . . . 25.0 111.243 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.59 88.67 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.026 0.93 . . . . 25.0 112.511 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.3 t0 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.924 -1.035 . . . . 25.0 111.311 179.383 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.498 -0.241 . . . . 25.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 39.9 t -111.18 124.72 32.1 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 122.332 0.253 . . . . 25.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -74.13 -24.54 14.69 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.386 2.057 . . . . 25.0 113.842 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 121.37 -67.65 0.44 Allowed Glycine 0 C--N 1.34 0.782 0 O-C-N 123.372 0.42 . . . . 25.0 112.662 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -115.52 117.68 40.22 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 119.47 -0.3 . . . . 25.0 110.342 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.8 143.16 99.33 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.565 2.177 . . . . 25.0 113.121 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 49.8 t30 62.94 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.061 0.944 . . . . 25.0 111.484 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -178.14 79.06 0.07 OUTLIER Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.635 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.69 30.23 7.3 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.921 0.391 . . . . 25.0 111.771 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.68 0.72 22.33 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.14 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 73.1 p -144.38 -53.62 0.33 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.694 -0.684 . . . . 25.0 110.266 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.69 -44.0 1.58 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.915 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -125.59 -2.25 7.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.902 0.351 . . . . 25.0 111.925 -176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -117.08 12.83 14.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.263 0.554 . . . . 25.0 111.778 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -86.49 -23.03 26.1 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.984 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -92.97 -14.53 27.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.491 0.552 . . . . 25.0 112.491 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 88.9 p -88.78 -3.11 58.85 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.282 0.364 . . . . 25.0 111.682 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.9 p -87.6 -33.99 18.67 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.851 175.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 32.8 mm -90.24 -27.32 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.445 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -85.29 8.68 17.69 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.299 0.571 . . . . 25.0 111.042 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' B' ' 535' ' ' SER . 37.7 t70 -97.42 -32.16 11.99 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.021 -0.991 . . . . 25.0 109.65 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.8 mtp -73.29 -17.51 61.31 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.823 -0.626 . . . . 25.0 110.92 170.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 74.1 m-20 -73.46 -33.12 64.71 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.803 -1.09 . . . . 25.0 112.448 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.65 -23.04 42.81 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -171.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.5 p -83.12 -17.59 42.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.36 -20.0 22.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.31 -0.404 . . . . 25.0 111.664 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 91.2 mt -83.92 -35.68 23.87 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 24.8 tp -83.41 -26.01 30.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.952 0.406 . . . . 25.0 110.579 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 78.3 p -99.42 42.87 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.143 -0.935 . . . . 25.0 111.046 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -84.15 -5.64 59.28 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.993 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 97.1 mt -99.4 120.74 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 123.55 0.74 . . . . 25.0 110.238 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 68.7 m -106.75 -42.06 5.06 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.748 -0.66 . . . . 25.0 111.364 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.984 -1.008 . . . . 25.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.555 ' HA ' ' OD1' ' A' ' 99' ' ' ASN . 70.9 Cg_exo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 111.215 -0.341 . . . . 25.0 111.215 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -134.7 134.66 41.31 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.364 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 66.6 m170 -87.36 -2.47 58.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.575 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -147.26 147.59 30.58 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.073 0.463 . . . . 25.0 111.209 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.05 -122.37 0.91 Allowed Glycine 0 C--N 1.333 0.362 0 CA-C-N 115.098 -0.955 . . . . 25.0 111.958 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.46 122.4 10.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.555 0.342 . . . . 25.0 110.235 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -140.0 154.33 47.1 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.76 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 75.0 mt -112.89 139.09 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.243 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -143.48 120.0 11.04 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 63.11 40.87 8.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.803 0.841 . . . . 25.0 111.969 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 69.64 -6.76 0.97 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.601 1.16 . . . . 25.0 113.828 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -93.82 122.49 45.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 173.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 8' ' ' ILE . 28.8 t -82.49 136.25 34.93 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.39 -176.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.22 -159.48 9.0 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.112 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.58 138.42 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.587 . . . . 25.0 109.444 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.46 140.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.543 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.82 145.93 45.05 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.453 0.471 . . . . 25.0 111.147 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 3' ' ' HIS . 97.2 mt -104.88 139.98 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.327 0.585 . . . . 25.0 109.833 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 6.5 t30 -110.59 99.54 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.599 -1.182 . . . . 25.0 110.471 -175.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.12 167.62 12.94 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 70.94 3.25 4.56 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.766 0.826 . . . . 25.0 111.641 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 m -102.32 -173.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 114.26 -1.336 . . . . 25.0 110.287 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -74.66 162.19 74.69 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 169.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -43.16 130.16 6.12 Favored 'Trans proline' 0 C--N 1.376 1.983 0 CA-C-N 122.475 1.92 . . . . 25.0 113.256 -141.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' ASN . . . -48.48 138.88 9.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.075 -1.421 . . . . 25.0 112.927 -165.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.69 138.91 47.43 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -173.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 63.6 tp -96.75 104.98 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.7 m -104.04 109.51 21.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.013 -1.449 . . . . 25.0 111.199 -170.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.484 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 73.5 t90 -84.92 135.44 34.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.336 170.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HG2' HG23 ' A' ' 37' ' ' VAL . 75.7 mtp85 -126.48 163.89 22.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.021 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 71.7 p -72.45 169.4 16.46 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.2 m -56.77 -28.55 61.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.508 0.594 . . . . 25.0 112.437 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -100.01 -28.97 12.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.477 170.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.96 18.78 21.44 Favored Glycine 0 C--N 1.342 0.892 0 CA-C-N 115.358 -0.837 . . . . 25.0 113.696 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 31' ' ' SER . 9.6 p-10 -68.76 -28.02 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.622 0.369 . . . . 25.0 110.651 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.1 mttp -110.16 141.92 42.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.874 -0.603 . . . . 25.0 109.409 174.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG23 ' HG2' ' A' ' 30' ' ' ARG . 12.7 p -149.31 135.5 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -175.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.484 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 85.9 m-70 -129.22 147.84 51.1 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.372 175.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -129.63 129.97 45.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 87.4 t -116.47 107.73 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.703 175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.2 122.31 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 173.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 104' ' ' LEU . 1.2 mm? -79.45 -19.27 50.28 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.3 p -70.01 -1.88 11.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.091 0.472 . . . . 25.0 110.483 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -114.81 4.87 15.04 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.167 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' ILE . 49.2 mm -112.57 139.34 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.872 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.96 -44.39 4.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.541 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 65.3 mttp -131.81 166.96 20.39 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -148.46 125.56 11.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 178.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -130.18 122.91 29.06 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.318 0.104 . . . . 25.0 111.023 -176.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.36 155.13 27.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.613 0.598 . . . . 25.0 112.613 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.756 HG21 ' HB3' ' A' ' 57' ' ' LYS . 34.0 p -65.32 119.52 60.1 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.63 0.772 . . . . 25.0 111.292 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.809 ' CD ' HD13 ' B' ' 545' ' ' LEU . 52.2 Cg_exo -50.0 166.01 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.209 0 C-N-CA 123.143 2.562 . . . . 25.0 113.674 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.6 -4.53 40.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.867 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.2 p -102.99 -17.93 15.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.568 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 t -64.54 144.13 57.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.224 0.61 . . . . 25.0 112.436 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.3 pm0 -65.36 -24.07 67.15 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.483 173.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.756 ' HB3' HG21 ' A' ' 51' ' ' THR . 7.8 mmtp -89.88 143.41 26.82 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.005 -1.452 . . . . 25.0 112.694 -174.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.413 ' HA ' HH12 ' A' ' 94' ' ' ARG . 66.4 mtm -116.23 96.26 5.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.1 -0.954 . . . . 25.0 108.805 169.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 12.8 mtt -155.79 162.78 40.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.174 -174.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 tp -142.06 120.0 12.01 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.162 -0.927 . . . . 25.0 109.535 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' ' 86' ' ' ARG . 53.0 ttp180 -100.44 146.83 26.55 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.979 0.419 . . . . 25.0 111.366 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.678 HD11 HD13 ' A' ' 104' ' ' LEU . 3.7 mm? -127.86 104.77 8.0 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' A' ' 47' ' ' LYS . 87.5 mt -85.55 137.78 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.907 -0.588 . . . . 25.0 109.601 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.31 163.0 21.8 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.975 -0.557 . . . . 25.0 113.945 -172.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -81.25 130.36 35.0 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.05 0.54 . . . . 25.0 110.782 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.2 t -92.4 136.61 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.62 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.5 85.83 2.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.913 -1.04 . . . . 25.0 109.156 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -86.41 -1.78 57.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -76.66 0.02 21.82 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.997 0.427 . . . . 25.0 111.638 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -109.7 35.87 3.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.632 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -45.34 121.9 3.2 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.983 0.913 . . . . 25.0 112.486 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -103.06 153.68 20.03 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.219 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -127.04 140.95 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.282 -0.417 . . . . 25.0 109.998 177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -81.61 -171.47 3.34 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.919 -0.582 . . . . 25.0 112.04 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -56.46 -31.94 64.47 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.464 0.912 . . . . 25.0 113.464 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -90.96 -16.87 27.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.0 0.371 . . . . 25.0 112.0 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 19.51 16.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 121.489 -0.386 . . . . 25.0 113.438 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -88.23 149.77 23.66 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.0 tt0 -74.13 116.22 14.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.091 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.63 100.99 9.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.301 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 79' ' ' GLU . 91.6 t -93.74 127.32 46.2 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 115.285 -0.871 . . . . 25.0 111.33 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.11 134.49 52.99 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.049 2.499 . . . . 25.0 113.589 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 47.2 mmtm -94.85 164.19 20.21 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 114.854 -1.066 . . . . 25.0 111.447 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 83' ' ' LYS . 43.3 Cg_endo -61.56 148.85 92.02 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.181 1.92 . . . . 25.0 113.626 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.68 127.47 39.39 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.052 -0.976 . . . . 25.0 110.737 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' ' 61' ' ' ARG . 1.7 mtm-85 -114.67 125.75 54.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.878 -0.601 . . . . 25.0 110.481 -175.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 11.4 m-70 -108.56 116.71 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.866 -177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 66.8 mtt -96.7 148.56 22.76 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.597 0.237 . . . . 25.0 110.887 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' MET . 99.0 m-85 -138.27 128.19 25.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.547 173.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 18.4 t -87.35 141.04 28.93 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.339 0.59 . . . . 25.0 111.759 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.74 176.2 7.08 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.939 -171.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -126.31 -8.49 6.4 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.801 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -143.92 143.69 31.38 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.928 0.394 . . . . 25.0 111.226 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.413 HH12 ' HA ' ' A' ' 58' ' ' MET . 32.7 mmt180 -80.46 -31.37 37.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.596 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -72.93 -19.34 61.27 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.097 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -77.35 -62.7 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.1 ptm -48.44 -39.75 23.83 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.6 -25.12 63.81 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.555 ' OD1' ' HA ' ' A' ' 1' ' ' PRO . 6.9 m-20 -87.26 -34.47 18.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.087 0.555 . . . . 25.0 111.991 175.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.72 -55.76 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.32 -44.04 54.07 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.896 0.878 . . . . 25.0 112.573 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.4 -59.52 5.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 119.394 -0.336 . . . . 25.0 111.543 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.423 HG21 ' CD2' ' A' ' 3' ' ' HIS . 85.5 m -50.21 -56.51 10.77 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.458 0.474 . . . . 25.0 109.93 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 62' ' ' LEU . 98.8 mt -43.72 -57.88 2.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.875 0.87 . . . . 25.0 110.97 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -55.99 -30.7 62.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.635 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.53 -20.29 54.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.717 0.407 . . . . 25.0 111.017 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.08 -43.39 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.695 0.798 . . . . 25.0 111.585 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.426 HD12 HD21 ' A' ' 48' ' ' LEU . 85.8 mt -72.5 -34.85 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 122.488 0.315 . . . . 25.0 111.461 -175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.8 p -63.6 -18.95 64.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.68 0.612 . . . . 25.0 111.459 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -77.78 -42.62 33.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.775 172.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -81.67 -0.73 44.03 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.758 -0.655 . . . . 25.0 111.269 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -92.62 -32.68 14.7 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.45 -0.795 . . . . 25.0 110.325 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -91.25 -32.49 15.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.521 -0.763 . . . . 25.0 111.285 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.88 89.64 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.009 0.923 . . . . 25.0 112.435 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 117.894 -1.05 . . . . 25.0 110.316 178.837 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.521 -0.231 . . . . 25.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 19.8 t 62.01 121.63 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 124.201 1.0 . . . . 25.0 112.27 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -73.33 142.61 33.81 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.35 2.033 . . . . 25.0 113.519 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.41 16.92 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.474 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -107.61 99.31 28.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.194 0.198 . . . . 25.0 111.106 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.66 153.72 76.95 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.827 2.352 . . . . 25.0 112.969 176.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -85.05 -18.22 35.02 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.002 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.53 132.27 8.68 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.413 0.446 . . . . 25.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 83.9 mt 58.32 107.89 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 25.0 111.871 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 51.0 mt -124.32 2.17 8.45 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.468 -1.242 . . . . 25.0 109.181 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 91.8 p -155.61 42.26 0.42 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.935 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -108.69 -96.54 2.44 Favored Glycine 0 C--N 1.34 0.764 0 C-N-CA 121.126 -0.559 . . . . 25.0 112.609 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -138.56 -15.48 1.21 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -101.33 13.16 35.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.211 0.529 . . . . 25.0 112.204 -177.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -86.95 -19.51 28.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.289 -0.869 . . . . 25.0 111.302 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -94.54 -5.95 44.81 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.447 -0.342 . . . . 25.0 111.751 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.7 p -88.09 -3.89 58.83 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.511 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p -87.45 -34.96 18.53 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.989 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 32.9 pt -86.36 -24.96 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.423 174.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.4 9.11 21.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.511 0.672 . . . . 25.0 110.838 172.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -29.33 16.74 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 25.0 109.392 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.8 mmm -74.85 -18.51 60.43 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.571 -0.741 . . . . 25.0 111.103 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.28 -31.21 54.66 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.311 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.854 ' HA ' HD23 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -82.11 -17.19 47.35 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.099 0.778 . . . . 25.0 113.099 -173.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -86.64 -21.1 26.93 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.25 -15.41 29.24 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' B' ' 542' ' ' PHE . 3.7 pp -86.21 -33.71 20.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.661 ' HG ' ' CD1' ' B' ' 545' ' ' LEU . 84.2 mt -85.27 -24.14 27.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.038 0.447 . . . . 25.0 110.489 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 49.2 m -106.22 58.83 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.266 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -92.87 2.22 56.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.481 -0.782 . . . . 25.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.7 mt -113.24 122.67 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 72.8 m -109.67 137.07 48.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.794 -0.639 . . . . 25.0 110.869 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.718 -0.658 . . . . 25.0 110.823 179.645 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo . . . . . 0 N--CA 1.484 0.927 0 N-CA-C 111.212 -0.341 . . . . 25.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -135.63 142.67 45.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.223 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -84.44 -9.26 58.54 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.485 -0.78 . . . . 25.0 111.333 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.8 p -143.98 149.55 36.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.059 -174.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.17 -114.57 0.47 Allowed Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.403 -0.817 . . . . 25.0 111.993 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.17 126.61 11.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 122.559 0.344 . . . . 25.0 110.495 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.51 152.41 41.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 -177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 93.3 mt -110.58 137.9 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.37 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -141.39 120.86 13.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.634 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 62.15 39.18 13.1 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.716 0.806 . . . . 25.0 112.096 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.26 -5.27 1.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.653 1.181 . . . . 25.0 113.547 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.13 119.21 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 8' ' ' ILE . 29.8 t -80.32 137.57 36.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.461 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.59 -158.2 8.57 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.2 -0.909 . . . . 25.0 113.094 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -125.81 138.58 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.119 -0.541 . . . . 25.0 109.643 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.629 HD13 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.9 134.4 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.605 -178.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.13 139.49 41.23 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.316 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 95.1 mt -99.09 134.72 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.775 0.798 . . . . 25.0 110.774 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -100.89 107.54 19.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.671 -1.604 . . . . 25.0 111.36 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.63 167.71 13.08 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 70.78 3.53 4.63 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.669 0.788 . . . . 25.0 111.842 -172.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 23' ' ' SER . 21.2 m -101.87 -172.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.275 -1.33 . . . . 25.0 109.872 176.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' VAL . 86.9 p -73.33 163.84 65.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 171.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -41.54 128.88 3.59 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 122.148 1.803 . . . . 25.0 113.272 -141.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 138.19 18.36 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 114.258 -1.337 . . . . 25.0 113.139 -165.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -122.57 171.77 8.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 113.686 -1.597 . . . . 25.0 111.16 -168.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 43.9 tp -127.36 107.68 10.19 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.3 m -108.52 112.09 24.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.654 -0.703 . . . . 25.0 111.254 -170.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 86.8 t90 -86.96 134.34 33.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.465 -0.789 . . . . 25.0 109.593 170.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -127.47 157.19 40.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.709 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 86.5 p -68.41 167.7 14.14 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.4 m -56.19 -28.92 59.99 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -99.42 -27.0 13.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.006 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 18.2 27.3 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.691 -0.686 . . . . 25.0 113.497 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' OG ' ' A' ' 31' ' ' SER . 8.5 p-10 -70.2 -30.59 67.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.635 0.374 . . . . 25.0 110.746 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 16.8 mttp -110.13 135.33 51.1 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.617 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.34 134.27 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 120.842 0.353 . . . . 25.0 111.766 -174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.53 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 98.4 m-70 -127.83 147.24 50.43 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.555 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -129.39 129.22 44.45 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.868 0.366 . . . . 25.0 111.936 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 83.8 t -112.89 107.35 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.031 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.05 122.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 ' HB ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -75.81 -24.0 55.85 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.012 1.115 . . . . 25.0 114.012 -170.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 87.6 p -66.74 -3.47 6.77 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.093 0.473 . . . . 25.0 110.919 174.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.07 4.21 14.61 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.125 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 63' ' ' ILE . 21.6 mm -111.62 141.79 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.513 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -111.84 -44.24 3.49 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.511 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.97 173.72 11.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.9 0.381 . . . . 25.0 111.822 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -150.16 127.42 11.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.466 -0.788 . . . . 25.0 108.883 178.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -124.86 117.42 24.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.325 0.107 . . . . 25.0 110.806 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -112.02 151.74 28.96 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -66.12 118.16 49.91 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-N 116.023 -0.535 . . . . 25.0 111.081 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.33 159.71 2.8 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.988 2.459 . . . . 25.0 113.468 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -71.89 -4.83 30.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.955 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.9 p -101.29 -17.47 16.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.639 -0.71 . . . . 25.0 111.148 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 t -71.06 136.74 48.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.126 0.57 . . . . 25.0 112.263 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.684 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 7.4 mp0 -57.54 -28.19 63.3 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.898 -1.046 . . . . 25.0 112.278 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -83.84 153.96 23.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.783 -1.553 . . . . 25.0 113.574 -173.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.6 mtt -123.82 98.94 6.03 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.259 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 63.5 mtt -156.4 155.1 31.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.866 -0.606 . . . . 25.0 111.529 -175.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 50' ' ' ALA . 2.3 tp -135.55 119.73 17.71 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.464 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' NH2' ' SD ' ' A' ' 88' ' ' MET . 28.6 ttm180 -104.73 144.92 31.08 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.254 0.549 . . . . 25.0 112.108 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 104' ' ' LEU . 4.2 mm? -128.41 105.22 8.17 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.979 -1.01 . . . . 25.0 110.488 -177.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 45' ' ' ILE . 89.4 mt -85.2 145.14 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.49 160.71 18.99 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.751 -174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.73 131.59 35.46 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.126 0.571 . . . . 25.0 110.926 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.26 133.45 38.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.048 -0.524 . . . . 25.0 111.433 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -106.39 86.47 2.36 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.928 -1.033 . . . . 25.0 109.001 169.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -85.98 -1.8 57.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.962 -0.563 . . . . 25.0 112.173 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.3 p -74.6 -13.69 60.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.552 0.341 . . . . 25.0 111.616 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.14 39.67 1.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.548 0.69 . . . . 25.0 110.726 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 81' ' ' VAL . 27.6 ttmt -44.76 116.97 1.17 Allowed 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.462 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -102.94 145.96 29.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.068 -0.969 . . . . 25.0 110.078 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.7 138.12 53.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.716 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -77.85 -171.35 2.22 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.031 -0.531 . . . . 25.0 112.339 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.5 -31.88 62.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -88.83 -16.69 31.41 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 22.26 12.92 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.258 -0.428 . . . . 25.0 112.847 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -92.98 148.58 21.88 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.492 0.317 . . . . 25.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -68.7 119.45 13.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.52 -175.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -128.52 99.7 5.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.368 -0.833 . . . . 25.0 108.76 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HG2' ' A' ' 79' ' ' GLU . 93.7 t -97.33 127.36 38.5 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.014 -172.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_exo -59.27 130.96 38.39 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.94 2.426 . . . . 25.0 113.366 -177.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HB2' ' HD2' ' A' ' 84' ' ' PRO . 65.4 pttt -94.58 161.65 28.25 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.891 -1.05 . . . . 25.0 111.564 -175.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 83' ' ' LYS . 58.8 Cg_endo -65.26 149.54 88.42 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.334 2.023 . . . . 25.0 113.683 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -93.52 116.54 29.06 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.083 -0.962 . . . . 25.0 111.01 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 80.1 mtt85 -113.27 132.18 55.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.882 -1.054 . . . . 25.0 110.14 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 88.8 m-70 -121.5 113.03 19.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.108 -172.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.441 ' SD ' ' NH2' ' A' ' 61' ' ' ARG . 60.8 ttp -101.91 135.68 43.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.237 0.541 . . . . 25.0 111.035 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 59' ' ' MET . 96.6 m-85 -117.69 165.65 13.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.719 -1.128 . . . . 25.0 108.938 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.476 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -119.23 144.84 46.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.831 0.348 . . . . 25.0 110.582 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -129.61 176.08 8.29 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.593 -0.73 . . . . 25.0 111.861 -172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -123.31 -17.78 6.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.971 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -141.94 143.62 33.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.663 0.385 . . . . 25.0 111.14 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 7.6 ttt180 -75.4 -28.08 59.3 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.494 -0.775 . . . . 25.0 112.145 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.8 p -74.19 -19.07 60.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.918 -0.583 . . . . 25.0 111.591 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.71 -62.54 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 109.057 -0.719 . . . . 25.0 109.057 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 24.7 ptp -43.78 -50.91 7.62 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.072 0.549 . . . . 25.0 112.213 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' MET . 82.5 m-20 -64.0 -26.08 68.41 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.521 0.513 . . . . 25.0 112.005 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -81.95 -33.18 30.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.867 0.467 . . . . 25.0 111.616 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.92 -51.76 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 48' ' ' LEU . 85.7 tttt -44.99 -51.12 10.2 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.652 1.181 . . . . 25.0 112.3 172.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 ttm -53.79 -53.39 53.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.35 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.4 m -57.77 -61.08 2.78 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.314 0.384 . . . . 25.0 110.066 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 62' ' ' LEU . 91.1 mt -43.12 -57.28 2.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.234 1.014 . . . . 25.0 111.004 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.409 ' OE1' HD11 ' A' ' 48' ' ' LEU . 65.4 tp60 -54.17 -32.44 55.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.001 -1.0 . . . . 25.0 113.242 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -76.41 -22.81 54.24 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.779 0.288 . . . . 25.0 111.779 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.713 ' HB ' HD12 ' A' ' 42' ' ' LEU . 92.4 mt -82.44 -42.28 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.768 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.86 -35.32 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 122.24 0.216 . . . . 25.0 111.106 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 93.7 p -64.26 -17.96 64.11 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.71 0.631 . . . . 25.0 111.457 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -78.08 -42.01 33.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.948 0.499 . . . . 25.0 110.94 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 78.0 m-85 -84.0 0.12 49.35 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.278 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 49.0 tptt -92.33 -32.2 15.08 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.717 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -98.04 -23.2 15.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.194 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -137.47 78.66 1.7 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.431 0.634 . . . . 25.0 110.944 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 111' ' ' TYR . 67.0 t0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.883 -1.056 . . . . 25.0 111.298 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.467 -0.253 . . . . 25.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 25.8 t -106.55 124.16 36.5 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-O 119.482 -0.294 . . . . 25.0 110.911 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -73.41 139.18 28.4 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.299 1.999 . . . . 25.0 113.54 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 157.88 40.35 0.02 OUTLIER Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.911 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -128.83 97.62 26.58 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 122.395 0.278 . . . . 25.0 110.685 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -67.16 -35.61 24.33 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.623 2.215 . . . . 25.0 113.495 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -108.85 135.1 50.61 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.29 0.369 . . . . 25.0 110.981 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 158.04 -36.03 0.53 Allowed Glycine 0 C--N 1.338 0.689 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.912 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 84.7 mt -100.69 22.31 12.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 122.395 0.278 . . . . 25.0 111.591 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.44 -6.66 15.39 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 121.281 0.562 . . . . 25.0 110.82 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.5 t -148.76 108.62 4.04 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.118 -0.947 . . . . 25.0 109.098 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -95.74 35.49 4.29 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.179 -0.534 . . . . 25.0 113.492 -175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -137.26 -20.16 1.23 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.708 0.289 . . . . 25.0 110.928 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -110.01 4.96 21.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.661 -0.7 . . . . 25.0 112.047 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.81 0.47 49.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.071 -0.968 . . . . 25.0 111.408 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.15 -28.18 15.19 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.575 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 95.4 p -96.9 -6.77 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.573 0.546 . . . . 25.0 111.632 177.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 93.7 p -81.0 -27.63 35.8 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.204 -0.453 . . . . 25.0 110.59 172.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.1 pt -89.52 -17.44 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.66 -0.7 . . . . 25.0 109.883 171.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -86.14 1.93 48.7 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.408 0.623 . . . . 25.0 111.435 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -87.27 -23.9 24.53 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.726 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -75.25 -25.63 58.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.804 -1.089 . . . . 25.0 110.924 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -84.93 -33.12 22.75 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.459 -0.791 . . . . 25.0 112.279 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -18.23 35.98 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 -174.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -86.09 -17.59 34.69 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.773 0.286 . . . . 25.0 111.773 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.18 -15.2 29.71 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.24 0.338 . . . . 25.0 111.88 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.6 -34.45 19.86 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.3 mt -79.68 -30.8 41.25 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.873 0.368 . . . . 25.0 111.376 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 85.1 p -92.5 -55.19 3.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.166 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 52.18 100.52 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.085 0.954 . . . . 25.0 112.655 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 69.6 mt -123.33 126.77 73.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.996 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 77.8 p -114.67 -30.99 6.31 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.745 -0.661 . . . . 25.0 111.558 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 124.063 0.945 . . . . 25.0 111.787 -179.251 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 111.63 -0.181 . . . . 25.0 111.63 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' A' ' 99' ' ' ASN . 82.5 p -137.23 21.44 2.98 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.58 -177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.536 ' HA ' HD12 ' A' ' 18' ' ' ILE . 93.6 m-70 -99.49 -31.41 11.64 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.372 -0.376 . . . . 25.0 111.931 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 47.7 t -132.07 138.57 48.21 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.017 0.437 . . . . 25.0 111.902 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -149.17 -114.57 0.73 Allowed Glycine 0 C--N 1.334 0.423 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.781 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.608 0.363 . . . . 25.0 110.54 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.33 154.38 41.6 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.763 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 96.9 mt -112.76 137.48 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.525 -0.761 . . . . 25.0 109.065 175.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -141.13 117.58 10.82 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.171 -0.468 . . . . 25.0 109.791 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 63.69 41.07 7.34 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.879 0.872 . . . . 25.0 112.031 -177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 70.67 -7.54 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.705 1.202 . . . . 25.0 113.611 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.92 121.21 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.488 ' HA ' HG12 ' A' ' 8' ' ' ILE . 47.3 t -81.75 135.93 35.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.273 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 30' ' ' ARG . . . -152.77 -157.47 8.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.067 -0.97 . . . . 25.0 113.013 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' GLY . 93.3 mt -126.3 138.74 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.189 -0.506 . . . . 25.0 109.847 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -100.76 135.43 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.392 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.11 141.14 42.32 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.989 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 3' ' ' HIS . 96.7 mt -99.54 129.59 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.338 0.589 . . . . 25.0 110.633 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.63 105.67 17.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.562 -1.199 . . . . 25.0 111.405 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -121.29 168.29 11.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 71.46 3.7 4.77 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 123.733 0.813 . . . . 25.0 111.691 -172.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.47 -172.5 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 114.275 -1.329 . . . . 25.0 110.167 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.2 p -73.64 159.83 83.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 105.27 -2.122 . . . . 25.0 105.27 171.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -40.78 130.28 2.76 Favored 'Trans proline' 0 C--N 1.374 1.911 0 CA-C-N 122.193 1.819 . . . . 25.0 114.029 -139.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.4 138.55 7.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 113.826 -1.534 . . . . 25.0 113.462 -168.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.57 171.29 10.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 113.371 -1.741 . . . . 25.0 110.808 -169.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -121.29 121.39 37.59 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 167.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -114.33 107.98 16.29 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.795 -175.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.669 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 70.1 t90 -84.53 136.2 33.9 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.218 170.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 74.9 mtp85 -126.76 165.73 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.006 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 86.6 p -73.77 166.53 23.15 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 175.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 m -53.77 -29.96 42.42 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 25.0 112.763 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -99.66 -31.34 11.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.589 170.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 18.94 10.78 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.572 -0.74 . . . . 25.0 114.204 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.92 -30.38 69.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.891 0.345 . . . . 25.0 110.835 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 60.5 mttp -106.15 143.27 34.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 173.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.32 136.7 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.818 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.669 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 88.8 m-70 -133.14 146.83 51.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.628 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -129.33 140.7 51.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.09 0.472 . . . . 25.0 111.895 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG11 HD22 ' A' ' 62' ' ' LEU . 22.9 t -126.48 108.16 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.584 176.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.15 122.68 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 104' ' ' LEU . 3.8 mm? -77.51 -21.7 52.34 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 82.3 p -67.95 -4.05 11.86 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.227 0.537 . . . . 25.0 110.569 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -115.25 3.21 14.22 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.218 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 63' ' ' ILE . 48.0 mm -109.1 139.67 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.329 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -105.32 -49.56 3.42 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.524 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 48' ' ' LEU . 57.7 mttp -132.21 174.98 9.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 122.611 0.364 . . . . 25.0 111.294 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' HG ' ' A' ' 62' ' ' LEU . 15.3 mt -150.61 137.6 19.22 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 96.4 mt-30 -134.33 118.84 17.95 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.573 0.212 . . . . 25.0 111.573 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.695 ' HB1' ' SD ' ' A' ' 97' ' ' MET . . . -112.2 152.48 28.35 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.781 ' CG2' ' H ' ' A' ' 59' ' ' MET . 9.2 t -71.33 122.46 87.14 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 123.252 0.621 . . . . 25.0 111.523 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.01 163.55 4.17 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.014 2.476 . . . . 25.0 113.463 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 -12.82 61.5 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.986 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.0 p -95.76 -16.7 21.75 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.367 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 57' ' ' LYS . 29.5 t -68.97 146.29 52.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.339 0.656 . . . . 25.0 112.545 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -4.95 2.36 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.564 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' HG21 ' A' ' 51' ' ' THR . 75.9 mmtt -120.73 147.13 45.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.72 -1.127 . . . . 25.0 112.667 -163.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.677 ' HA ' HG21 ' A' ' 51' ' ' THR . 73.3 mtm -120.03 95.84 4.92 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 114.701 -1.136 . . . . 25.0 108.701 168.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.781 ' H ' ' CG2' ' A' ' 51' ' ' THR . 8.0 ptp -156.02 159.04 38.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.837 -174.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HB2' ' HG3' ' A' ' 97' ' ' MET . 15.0 tp -135.44 119.51 17.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.927 -1.033 . . . . 25.0 109.05 178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.64 ' HE ' ' HD1' ' B' ' 542' ' ' PHE . 91.7 mtt-85 -104.68 144.29 31.92 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.314 0.578 . . . . 25.0 112.006 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 5.5 mp -123.91 107.82 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.767 -1.106 . . . . 25.0 110.517 -178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 45' ' ' ILE . 79.3 mt -85.44 130.24 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 115.49 -0.777 . . . . 25.0 109.956 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.77 170.98 35.53 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.711 -0.677 . . . . 25.0 113.854 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -92.0 122.09 34.19 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 84' ' ' PRO . 1.5 t -121.16 149.44 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.896 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -89.39 104.47 17.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.92 -1.036 . . . . 25.0 109.789 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -85.64 -1.18 56.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.613 -0.721 . . . . 25.0 112.53 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -83.42 -15.99 47.57 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.42 33.64 0.69 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.372 0.669 . . . . 25.0 111.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -46.49 120.45 2.89 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.035 0.934 . . . . 25.0 112.376 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -99.74 151.61 21.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.539 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.38 141.61 51.84 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.891 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -83.76 -170.03 2.87 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.891 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -56.07 -31.66 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -90.01 -15.82 31.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.987 0.365 . . . . 25.0 111.987 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.85 30.37 Favored Glycine 0 C--N 1.34 0.769 0 O-C-N 123.365 0.416 . . . . 25.0 112.806 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.58 145.12 27.51 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.546 0.338 . . . . 25.0 110.163 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HG2' HG23 ' A' ' 81' ' ' VAL . 88.1 tt0 -73.42 117.36 15.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.13 -0.486 . . . . 25.0 111.174 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.76 100.83 8.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.146 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 79' ' ' GLU . 66.0 t -98.98 128.92 30.84 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.811 -170.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 122.3 8.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.719 2.279 . . . . 25.0 111.672 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.48 160.59 30.17 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 114.668 -1.151 . . . . 25.0 112.877 -172.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 42.4 Cg_exo -63.75 155.84 61.15 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.357 2.705 . . . . 25.0 113.931 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -89.96 162.44 15.4 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.143 -0.935 . . . . 25.0 110.513 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' B' ' 539' ' ' ASP . 84.5 mtm-85 -144.86 125.84 14.48 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.055 0.455 . . . . 25.0 110.984 -175.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 90.0 m-70 -102.01 155.79 17.95 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.164 -0.926 . . . . 25.0 109.868 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 67.4 ttp -139.83 143.29 36.73 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.996 0.427 . . . . 25.0 111.17 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -135.18 129.53 33.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.328 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.763 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 13.8 t -87.55 141.27 28.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.354 0.597 . . . . 25.0 111.908 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 11.9 m-85 -123.94 175.4 6.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.7 -1.137 . . . . 25.0 111.539 -172.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -123.21 -17.1 6.73 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.136 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -146.12 128.28 15.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.867 0.365 . . . . 25.0 110.964 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -58.46 -20.43 45.17 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.882 0.873 . . . . 25.0 113.304 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.1 p -75.43 -31.72 60.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.187 0.304 . . . . 25.0 111.45 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.5 -62.11 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.695 ' SD ' ' HB1' ' A' ' 50' ' ' ALA . 39.8 ttp -48.66 -31.77 7.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.101 0.96 . . . . 25.0 113.538 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -81.21 -22.49 38.78 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 2' ' ' SER . 2.9 m-80 -86.74 -33.86 19.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.65 0.38 . . . . 25.0 111.734 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.72 -52.27 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 173.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 104' ' ' LEU . 84.6 tttt -55.28 -40.06 70.57 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.682 0.793 . . . . 25.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.6 ttp -54.81 -49.4 71.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.215 0.606 . . . . 25.0 111.426 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 83.7 m -62.21 -57.44 11.43 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.245 0.341 . . . . 25.0 110.129 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 101' ' ' LYS . 85.1 mt -43.84 -59.48 2.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.909 0.884 . . . . 25.0 110.795 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -50.75 -30.31 13.65 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.125 0.97 . . . . 25.0 113.496 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.06 -20.59 28.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 25.0 111.132 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.9 -42.07 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.143 0.577 . . . . 25.0 111.508 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.46 -34.85 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 117.699 0.227 . . . . 25.0 110.934 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -63.79 -16.99 62.62 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.617 0.573 . . . . 25.0 111.735 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.48 -41.64 23.98 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.468 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 43' ' ' SER . 83.3 m-85 -82.11 -2.47 52.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.349 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -89.24 -28.6 19.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.377 -0.829 . . . . 25.0 109.999 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.78 -17.52 25.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.169 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.83 -4.85 56.16 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.365 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 66.3 t0 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 117.946 -1.026 . . . . 25.0 110.358 -179.448 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.509 -0.236 . . . . 25.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 33.8 t -112.06 106.64 56.21 Favored Pre-proline 0 CA--C 1.545 0.767 0 O-C-N 123.651 0.265 . . . . 25.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -63.3 148.48 92.87 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.695 2.263 . . . . 25.0 113.099 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -150.62 106.04 0.3 Allowed Glycine 0 C--N 1.338 0.686 0 CA-C-N 115.976 -0.556 . . . . 25.0 112.576 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 82.6 t80 57.76 92.94 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.281 0 C-N-CA 123.946 0.898 . . . . 25.0 112.072 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.81 148.35 76.86 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.644 2.229 . . . . 25.0 113.165 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.84 136.16 47.15 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.122 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . 0.449 ' HA3' ' OD2' ' B' ' 533' ' ' ASP . . . 116.83 95.18 1.86 Allowed Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.077 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' B' ' 529' ' ' SER . 54.9 mt -120.93 179.86 4.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.863 0.363 . . . . 25.0 111.36 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 68.7 mt 62.43 -15.13 0.05 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.249 1.42 . . . . 25.0 112.945 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 527' ' ' LEU . 9.9 t -141.28 -58.13 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.225 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.42 6.74 89.11 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 116.019 -0.537 . . . . 25.0 114.174 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -131.26 -1.42 4.0 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.417 0.287 . . . . 25.0 111.693 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -97.68 7.76 45.86 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 122.93 0.492 . . . . 25.0 112.308 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . 0.449 ' OD2' ' HA3' ' B' ' 526' ' ' GLY . 5.7 m-20 -102.95 -24.91 13.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.21 -0.904 . . . . 25.0 111.464 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.01 -14.28 19.53 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -85.83 -3.51 58.93 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.248 0.343 . . . . 25.0 111.692 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.8 p -85.01 -37.37 20.47 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.857 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 40.6 pt -89.51 -21.3 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.012 -0.54 . . . . 25.0 110.844 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -87.09 9.83 18.58 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.392 0.615 . . . . 25.0 110.912 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -94.8 -32.04 13.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.877 -1.056 . . . . 25.0 109.827 175.088 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 95.2 mmm -73.16 -17.14 61.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.948 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -78.53 -29.7 46.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.21 -0.904 . . . . 25.0 112.588 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.64 ' HD1' ' HE ' ' A' ' 61' ' ' ARG . 1.3 t80 -82.56 -17.72 43.92 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -173.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 87.7 p -86.14 -19.74 29.68 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -91.2 -15.38 29.38 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.304 0.378 . . . . 25.0 111.894 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 90.5 mt -86.56 -32.88 20.44 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.827 0.677 . . . . 25.0 112.827 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.07 -31.27 30.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.834 0.349 . . . . 25.0 111.248 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.4 p -90.52 -54.64 3.91 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 50.33 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.065 0.946 . . . . 25.0 112.639 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 98.2 mt -110.28 115.48 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.692 -0.686 . . . . 25.0 109.654 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 42.0 t -116.44 133.27 56.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.027 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.706 -0.664 . . . . 25.0 110.794 179.715 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo . . . . . 0 N--CA 1.482 0.828 0 N-CA-C 111.177 -0.355 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -142.53 133.57 25.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.706 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -83.05 -10.86 58.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.988 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 97.3 p -137.93 156.71 47.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.124 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' ILE . . . -168.17 -131.32 1.28 Allowed Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.632 -0.713 . . . . 25.0 111.906 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.36 130.76 41.13 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.417 0.151 . . . . 25.0 110.72 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 16' ' ' ILE . . . -143.24 151.57 40.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.654 -178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.747 ' HB ' ' HB3' ' A' ' 90' ' ' SER . 74.8 mt -113.0 132.09 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -137.8 116.41 12.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.187 -0.46 . . . . 25.0 109.93 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.19 39.9 7.2 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.883 0.873 . . . . 25.0 111.75 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 69.21 -4.68 1.23 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.697 1.199 . . . . 25.0 113.594 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.23 113.99 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 171.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.412 ' HA ' HG12 ' A' ' 8' ' ' ILE . 33.3 t -74.5 133.14 42.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.034 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.14 -160.06 8.65 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.224 -0.898 . . . . 25.0 113.516 -174.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' GLY . 13.6 mt -127.28 133.19 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 114.822 -0.689 . . . . 25.0 109.972 -178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG13 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -100.82 132.72 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.635 -179.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.21 135.8 37.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 25.0 111.224 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 26' ' ' GLU . 79.5 mt -96.24 134.66 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 121.794 0.807 . . . . 25.0 110.645 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -100.44 105.73 17.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.663 -1.608 . . . . 25.0 111.132 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' OE2' HD11 ' A' ' 107' ' ' ILE . 92.9 mt-10 -119.72 167.89 11.61 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 173.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 73.71 1.12 3.84 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.961 0.905 . . . . 25.0 110.639 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 m -103.03 -172.65 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 114.711 -1.132 . . . . 25.0 110.107 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -73.77 160.84 81.09 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 171.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -40.95 128.99 2.87 Favored 'Trans proline' 0 C--N 1.37 1.702 0 CA-C-N 121.856 1.698 . . . . 25.0 113.664 -139.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.6 137.0 9.58 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.041 -1.436 . . . . 25.0 113.264 -168.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.5 mt-10 -121.54 172.17 8.28 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.403 -1.726 . . . . 25.0 111.041 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 22.8 tp -128.27 105.56 8.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 174.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -105.46 111.55 24.3 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.376 -171.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CE3' ' HD2' ' A' ' 38' ' ' HIS . 74.2 t90 -85.87 137.52 32.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.532 170.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -129.57 167.41 17.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.03 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.516 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 89.5 p -77.34 170.69 16.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.524 0.602 . . . . 25.0 112.546 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.32 -31.04 13.09 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 169.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . 102.91 18.29 15.93 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.258 -0.883 . . . . 25.0 113.753 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -68.43 -29.33 67.97 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.782 0.433 . . . . 25.0 111.642 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 1.2 mttp -104.36 140.9 37.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' TRP . 7.7 p -149.12 140.57 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 -174.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.543 ' HD2' ' CE3' ' A' ' 29' ' ' TRP . 96.6 m-70 -137.03 147.49 46.23 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.267 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.5 m -129.28 131.4 46.98 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 93.4 t -116.61 107.82 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.217 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 26' ' ' GLU . 60.2 t -80.53 122.41 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 175.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.32 -23.78 50.92 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 111' ' ' TYR . 82.4 p -67.02 -3.5 7.36 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.186 0.517 . . . . 25.0 110.577 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.3 p -115.51 -2.85 12.44 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.722 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' ILE . 50.4 mm -102.05 144.62 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.741 0.816 . . . . 25.0 109.338 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -110.18 -45.41 3.59 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.861 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.636 ' HB2' HD12 ' A' ' 63' ' ' ILE . 63.0 mttp -133.06 174.67 10.11 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.943 0.401 . . . . 25.0 111.909 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 7.1 tt -150.17 129.86 13.19 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.606 ' HB3' ' CE2' ' B' ' 542' ' ' PHE . 18.5 mt-30 -127.26 114.55 17.77 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.751 0.31 . . . . 25.0 111.677 -176.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -113.41 157.85 21.39 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.877 HG21 ' HA ' ' A' ' 58' ' ' MET . 4.8 t -75.34 125.22 89.14 Favored Pre-proline 0 N--CA 1.481 1.108 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.411 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -57.8 163.26 9.49 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.715 2.277 . . . . 25.0 112.984 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.33 55.87 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.997 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.8 p -95.59 -17.65 21.21 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.89 -0.595 . . . . 25.0 110.958 173.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.455 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 44.5 t -70.84 140.97 51.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.57 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.92 -17.42 64.33 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.968 -1.015 . . . . 25.0 111.773 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.68 154.99 16.93 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.769 -1.105 . . . . 25.0 112.978 -172.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.877 ' HA ' HG21 ' A' ' 51' ' ' THR . 75.2 mtm -127.65 99.03 5.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.823 -1.081 . . . . 25.0 108.991 169.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.694 ' H ' ' CG2' ' A' ' 51' ' ' THR . 11.1 ptp -155.67 158.42 38.25 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.861 -173.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -140.61 118.31 11.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.086 -0.961 . . . . 25.0 108.999 176.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 67.4 mtp85 -103.29 145.99 29.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.194 0.521 . . . . 25.0 111.711 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -126.69 106.67 9.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.801 -1.09 . . . . 25.0 109.956 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.654 HG12 ' HG2' ' A' ' 86' ' ' ARG . 8.2 mt -85.64 129.41 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.112 -173.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.88 159.52 34.46 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.763 -0.653 . . . . 25.0 113.089 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.53 117.24 21.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' A' ' 84' ' ' PRO . 7.9 t -121.79 143.37 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 114.589 -1.187 . . . . 25.0 110.544 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.5 93.57 6.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.06 -0.973 . . . . 25.0 109.399 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.75 -1.28 3.66 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 -173.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -81.3 2.68 27.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.655 0.382 . . . . 25.0 111.711 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -91.69 27.42 2.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.01 0.524 . . . . 25.0 111.245 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -47.93 119.09 2.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.905 0.882 . . . . 25.0 112.399 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -105.94 154.56 20.4 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.334 -0.848 . . . . 25.0 110.303 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -126.66 143.7 51.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.41 -0.359 . . . . 25.0 110.116 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -85.18 -171.11 3.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.695 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.89 -31.64 66.94 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -88.77 -18.07 28.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 14.71 31.48 Favored Glycine 0 C--N 1.343 0.94 0 C-N-CA 121.505 -0.378 . . . . 25.0 113.552 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -83.58 147.99 27.43 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.707 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.2 pm0 -75.03 114.01 13.02 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.278 -174.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.64 100.98 11.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.235 176.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.53 126.74 44.44 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 115.338 -0.847 . . . . 25.0 111.548 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.21 127.55 15.2 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.827 2.351 . . . . 25.0 112.378 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 149.72 36.73 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.717 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.575 ' HA ' HG21 ' A' ' 66' ' ' VAL . 58.8 Cg_endo -71.25 148.2 55.06 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.611 2.207 . . . . 25.0 113.638 177.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -92.48 136.1 33.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.655 -1.157 . . . . 25.0 110.945 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.654 ' HG2' HG12 ' A' ' 63' ' ' ILE . 99.9 mtt180 -115.95 139.59 50.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.252 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.6 m-70 -105.71 112.13 25.08 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.773 0.321 . . . . 25.0 110.262 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.7 ttt -100.04 138.62 36.86 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.995 -175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' MET . 97.9 m-85 -131.15 126.67 36.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.596 176.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.747 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 22.6 t -81.76 136.18 35.44 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.328 0.585 . . . . 25.0 111.219 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 97' ' ' MET . 8.9 m-85 -117.01 175.57 5.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.612 -173.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -122.66 -15.22 7.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.5 -0.773 . . . . 25.0 111.299 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -151.24 132.15 14.2 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.956 0.502 . . . . 25.0 110.457 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 10.6 mpt_? -62.5 -18.32 61.63 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 p -75.78 -29.35 58.74 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.089 0.243 . . . . 25.0 111.308 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.5 -62.5 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.644 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 22.8 ptp -46.63 -32.95 3.82 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.145 0.978 . . . . 25.0 113.438 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -80.11 -24.76 40.31 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.058 0.224 . . . . 25.0 111.583 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -85.61 -31.31 22.68 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.413 0.446 . . . . 25.0 111.762 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 104' ' ' LEU . 32.0 mm -71.56 -53.11 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 172.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -50.93 -43.95 60.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.7 0.8 . . . . 25.0 111.78 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.53 -51.79 64.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.242 0.617 . . . . 25.0 111.641 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 107' ' ' ILE . 11.3 m -58.85 -61.09 2.88 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.554 ' CD2' HG22 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -43.25 -59.42 2.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.288 1.035 . . . . 25.0 110.978 177.059 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -49.65 -32.36 12.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.139 0.975 . . . . 25.0 113.597 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.29 -20.65 34.04 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.401 0.438 . . . . 25.0 111.225 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.693 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 60.5 mt -85.62 -34.25 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 123.546 0.738 . . . . 25.0 111.664 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.1 -43.14 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 118.181 0.446 . . . . 25.0 110.88 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.49 ' HA ' ' HB3' ' A' ' 112' ' ' LYS . 89.0 p -63.16 -22.54 66.93 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.195 0.522 . . . . 25.0 110.386 173.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 50.1 tpt85 -68.64 -39.02 80.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.612 1.165 . . . . 25.0 111.253 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 43' ' ' SER . 70.0 m-85 -90.27 -6.79 54.77 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.83 175.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 109' ' ' SER . 64.6 tttm -86.24 -30.85 22.04 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.158 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.16 -34.62 16.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.413 -0.812 . . . . 25.0 111.163 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 53.0 85.08 0.05 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.987 0.915 . . . . 25.0 112.506 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 124.668 1.187 . . . . 25.0 112.598 -179.243 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.6 -0.2 . . . . 25.0 112.6 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 34.9 t -115.41 131.24 23.71 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 122.306 0.242 . . . . 25.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.44 -18.74 25.85 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.512 2.141 . . . . 25.0 114.051 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 148.51 -68.87 0.35 Allowed Glycine 0 C--N 1.34 0.767 0 O-C-N 123.467 0.48 . . . . 25.0 112.461 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -112.14 112.53 52.41 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 122.343 0.257 . . . . 25.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -64.04 141.99 79.21 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.432 2.088 . . . . 25.0 113.05 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.98 140.82 48.87 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.287 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -100.25 148.24 18.34 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.548 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.84 20.02 18.21 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.83 0.348 . . . . 25.0 111.433 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.3 mt -75.06 11.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.579 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 84.3 p -127.48 -19.74 4.15 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -88.48 -10.77 67.39 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 116.344 -0.389 . . . . 25.0 113.388 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -118.15 -0.86 11.49 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.882 0.372 . . . . 25.0 110.852 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -104.42 8.81 35.82 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.324 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -101.39 -10.28 20.38 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.135 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.84 -5.78 52.77 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.813 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' B' ' 538' ' ' ALA . 98.0 p -88.51 -7.64 56.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.246 175.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 91.8 p -80.24 -31.76 38.45 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.219 -0.446 . . . . 25.0 110.841 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 43.3 pt -88.19 -18.51 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 123.534 0.521 . . . . 25.0 110.321 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' B' ' 535' ' ' SER . . . -89.48 9.37 26.73 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.439 0.637 . . . . 25.0 110.712 171.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 86' ' ' ARG . 33.5 t70 -93.57 -33.85 13.56 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.771 -1.104 . . . . 25.0 109.696 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 98.2 mmm -71.34 -15.83 62.41 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.949 170.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -77.94 -38.52 45.19 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.301 -0.863 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 49' ' ' GLN . 20.8 t80 -84.65 -28.45 26.42 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -70.04 -25.01 63.36 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -90.85 -15.89 29.18 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.231 0.332 . . . . 25.0 111.467 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 42.9 mt -87.07 -34.96 18.98 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.961 -0.563 . . . . 25.0 112.164 -177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -84.41 -24.39 29.63 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.967 0.413 . . . . 25.0 110.713 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 55.9 m -98.95 69.53 1.78 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.334 174.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -102.26 71.67 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.308 -0.86 . . . . 25.0 111.108 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 93.6 mt -119.38 -36.54 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.721 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 40.0 t -115.16 138.44 50.91 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.743 -0.646 . . . . 25.0 110.617 -179.886 . . . . . . . . 0 0 . 1 stop_ save_