data_6tj3_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6tj3 _Structure_validation_residue.Date_analyzed 2020-10-30 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 ' 3' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.6 t . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.886 0.374 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.36 -40.88 94.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 110.409 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.59 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.2 tpt -67.6 -35.79 79.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.172 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' HG3' HD21 ' A' ' 57' ' ' LEU . 20.0 tt0 -57.25 -39.94 76.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.124 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.02 -43.77 82.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -66.53 -37.97 86.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.112 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.59 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.6 m-85 -65.57 -40.19 92.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.178 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 44.4 ttm105 -64.1 -45.25 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.958 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 39.1 tt0 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -67.38 -38.05 84.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 34.7 t80 -57.08 -48.91 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.742 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.66 -36.87 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.375 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 91.2 mt -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.664 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HD2' ' O ' ' A' ' 12' ' ' ALA . 29.0 m-85 -76.08 -42.35 47.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.96 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.328 -0.329 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.974 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 21.3 tt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.05 0.452 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.21 143.26 58.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.503 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.2 -32.05 73.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.265 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -76.32 -30.99 57.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.539 0.685 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' CD ' ' A' ' 30' ' ' GLU . 17.7 tppt? -85.48 -7.99 58.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.846 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.517 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.7 t80 -79.46 -44.45 21.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.959 -1.019 . . . . 0.0 112.575 -174.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 26.7 t80 -68.26 -36.2 79.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.704 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.684 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 12.8 pt-20 -66.08 -30.39 70.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.628 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.1 tp -60.63 -34.82 74.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.949 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.646 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 63.0 mtm -88.8 -33.52 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.684 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.5 p30 -67.45 -22.84 65.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -64.61 -29.36 70.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.207 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -97.61 -9.71 26.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.65 58.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.318 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.82 126.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.702 0.286 . . . . 0.0 110.314 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.11 142.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.601 . . . . 0.0 111.633 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD11 ' CE ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -104.31 123.7 47.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.802 -178.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 p -86.5 163.8 17.31 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.947 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.91 -43.89 86.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.745 0.307 . . . . 0.0 110.82 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.61 -40.37 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 37.9 mt-10 -70.67 -43.89 68.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.827 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.49 ' HG2' HD13 ' A' ' 39' ' ' LEU . 17.5 mtpp -56.66 -36.01 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 111.234 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.13 -14.37 61.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.79 -19.4 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 43' ' ' GLU . 10.3 mt -74.04 137.44 75.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.92 147.82 94.37 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.866 2.377 . . . . 0.0 111.235 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.07 -22.94 67.14 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -115.24 116.7 28.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -106.46 130.44 58.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -109.42 -175.13 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.187 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.671 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 38.2 tpp -60.97 -45.67 93.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.993 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.04 -42.26 98.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.722 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.64 -41.63 96.0 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.735 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.646 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 8.3 t-105 -57.96 -49.04 78.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.811 176.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.747 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 62.9 mt -58.95 -49.37 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.855 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.2 -46.24 78.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.887 0.742 . . . . 0.0 111.104 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -60.86 -38.68 86.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.28 0.562 . . . . 0.0 109.551 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.6 -27.88 66.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.431 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 1.2 mmpm? -67.29 -37.48 83.49 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.588 0.708 . . . . 0.0 109.514 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 62' ' ' LYS . 34.5 ttpt -72.4 -47.74 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.543 -175.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 110.248 178.648 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 20.1 t70 -67.65 -43.11 81.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.104 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.561 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.0 tpt -63.64 -36.88 85.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.513 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.489 ' HG3' HD21 ' A' ' 57' ' ' LEU . 26.4 tt0 -60.92 -40.66 94.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.742 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 3' ' ' SER . 51.0 mm-40 -56.65 -48.43 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.221 0.534 . . . . 0.0 110.251 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 1.1 mptm? -59.57 -45.29 92.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.222 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 23.4 m-85 -62.19 -42.55 99.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.936 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.614 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 43.7 ttm105 -60.34 -46.83 88.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.165 0.507 . . . . 0.0 110.957 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.58 -45.31 90.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.351 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.41 78.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.384 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -57.75 -46.93 83.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.051 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.92 -36.33 66.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.368 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -57.78 -45.72 85.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.805 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -76.96 -30.16 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.137 -174.607 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 tt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.946 0.879 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.07 147.68 46.54 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.357 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.482 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 26.3 mmt -55.34 -29.77 58.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.937 -174.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 30.1 p90 -73.3 -34.87 65.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.063 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 49.0 mmtt -86.13 -22.14 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.332 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 25' ' ' MET . 63.0 t80 -67.61 -45.02 76.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.963 -176.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -69.48 -39.68 77.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.022 -176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.03 -30.53 71.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 32.1 tp -60.65 -34.44 74.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 65.1 mtm -89.1 -34.67 16.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -21.46 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.8 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.1 m -66.28 -34.27 77.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -91.51 -1.89 57.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.18 21.64 62.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.53 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' CE1' ' A' ' 63' ' ' HIS . 92.9 mt -88.75 125.88 41.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 pt -105.98 144.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 0.0 110.651 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.559 ' CD1' HD12 ' A' ' 47' ' ' LEU . 1.9 tt -135.94 121.05 18.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -80.15 162.75 24.56 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.458 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.38 -38.41 91.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.653 0.263 . . . . 0.0 110.84 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.67 -40.53 97.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.02 -38.52 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.738 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CG ' HD21 ' A' ' 39' ' ' LEU . 23.1 mtpp -56.71 -38.1 71.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 111.444 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.83 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.839 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.57 -6.95 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 39' ' ' LEU . 21.5 mt -78.53 153.08 78.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.162 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.72 147.51 87.6 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.91 2.407 . . . . 0.0 111.918 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -66.27 -24.6 66.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.091 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -127.08 119.25 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -105.22 127.47 59.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.3 -179.27 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.614 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 50.1 ttm -56.52 -33.59 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.549 0.214 . . . . 0.0 111.313 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.68 -50.16 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -75.06 -30.32 60.96 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.619 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 11.2 t-105 -57.83 -48.99 78.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.794 0.33 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.796 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 43.5 mt -65.03 -49.86 68.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.522 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -54.57 -48.85 71.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.242 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.0 97.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -61.71 -42.76 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.693 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.796 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 12.8 mmmm -69.27 -29.48 67.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.569 0.7 . . . . 0.0 110.223 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -81.87 -48.37 11.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.368 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.451 ' CE1' HG12 ' A' ' 37' ' ' ILE . 1.6 p80 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.547 0.213 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.52 -45.5 62.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.202 0.525 . . . . 0.0 109.698 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.649 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' HD23 ' A' ' 57' ' ' LEU . 35.1 tt0 -56.63 -40.92 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.291 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.29 -38.61 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.549 . . . . 0.0 110.145 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.42 -44.17 83.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.312 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -62.21 -34.15 75.93 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.405 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 71.8 ttt180 -57.72 -47.45 82.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.483 . . . . 0.0 110.26 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 36.4 tt0 -69.81 -44.52 69.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.064 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.8 90.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.444 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 57.7 t80 -58.07 -44.85 87.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.75 -36.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.983 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 83.0 mt -60.54 -47.13 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.336 . . . . 0.0 110.838 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -77.23 -30.32 54.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -177.341 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 19.9 tt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.292 0.568 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.16 136.21 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.379 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.02 69.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.921 -173.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.3 p90 -72.79 -30.67 64.28 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.419 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 35.6 mmtt -86.29 -16.82 36.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.25 -45.15 70.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.434 -172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -69.84 -44.05 70.7 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.89 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.26 -30.8 71.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.627 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.07 -39.59 86.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.441 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.523 ' CE ' HD13 ' A' ' 39' ' ' LEU . 13.8 ptp -89.07 -31.26 18.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -21.65 65.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.082 -0.647 . . . . 0.0 109.697 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.9 t -64.09 -25.0 67.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -97.54 8.14 45.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.59 7.26 88.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.571 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.3 mt -86.65 134.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 110.332 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 pt -108.09 150.05 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 0.0 111.405 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 HD13 ' CE ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -123.25 123.7 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.871 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.5 p -88.94 163.18 15.7 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.859 -0.737 . . . . 0.0 111.872 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.81 -42.74 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.14 -41.23 87.78 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.047 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.42 -49.08 52.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.614 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG2' HD12 ' A' ' 39' ' ' LEU . 25.3 mtpp -56.57 -39.66 73.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 111.569 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.24 -15.1 63.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.26 0.81 18.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.892 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD13 HD11 ' A' ' 39' ' ' LEU . 20.3 mt -84.19 147.95 51.9 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.15 143.64 96.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.619 2.212 . . . . 0.0 111.503 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.81 -32.02 73.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.627 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -115.02 116.51 28.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.03 127.43 61.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.85 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -99.08 167.72 10.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.435 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.537 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.7 ttm -55.21 -34.39 63.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.579 0.228 . . . . 0.0 111.374 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.32 -42.66 82.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.565 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.06 -34.61 73.42 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.422 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -59.0 -48.7 80.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.412 . . . . 0.0 110.441 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 53' ' ' MET . 40.0 mt -58.82 -48.12 82.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.885 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.92 -44.75 95.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.785 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -62.67 -45.9 90.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.368 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.74 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -23.54 63.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 62' ' ' LYS . 4.7 ttmp? -70.35 -31.42 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.098 -179.38 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.018 0.437 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 32.2 t70 -73.07 -35.72 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 109.964 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.3 tpt -67.01 -41.26 86.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.633 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 11.7 pt-20 -63.82 -36.5 84.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.995 0.426 . . . . 0.0 110.491 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.88 -36.74 84.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 4' ' ' ASP . 54.7 mtpt -60.24 -38.84 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.581 0.229 . . . . 0.0 110.484 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 23.6 m-85 -62.08 -43.55 98.58 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 55.2 ttt180 -60.7 -46.71 89.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.54 -43.83 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.371 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.47 70.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.77 -41.17 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.514 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 81.8 mt -60.11 -36.5 68.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.0 110.432 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.64 -47.62 77.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.79 -44.95 30.72 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -168.404 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 27' ' ' LYS . 10.3 tt . . . . . 0 N--CA 1.438 -1.058 0 CA-C-O 122.308 1.051 . . . . 0.0 113.413 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.4 162.26 27.37 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.526 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.86 -32.01 71.45 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.86 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -72.77 -39.03 67.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.575 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 23' ' ' ILE . 4.1 tmtm? -83.51 -12.29 56.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.131 0.967 . . . . 0.0 109.44 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 48.3 t80 -79.11 -33.54 44.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.588 -175.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 39' ' ' LEU . 3.4 t80 -70.01 -33.92 72.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.388 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.767 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 7.2 pt-20 -66.1 -30.12 70.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.629 177.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 49.4 tp -63.1 -38.2 90.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 173.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 39' ' ' LEU . 10.4 ptp -91.98 -31.17 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.767 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.6 p30 -67.14 -22.97 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.257 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -66.3 -24.8 66.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.828 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -97.56 -8.32 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.999 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.09 19.97 60.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.466 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.84 137.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.6 pt -110.24 150.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.983 0.42 . . . . 0.0 110.734 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -121.6 129.47 52.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.115 -175.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -91.05 162.39 14.72 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.196 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.47 -42.44 92.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.661 0.267 . . . . 0.0 111.044 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -59.86 -40.8 89.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.6 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.53 -47.01 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' A' ' 39' ' ' LEU . 27.8 mtpp -56.56 -41.5 76.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.477 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -15.29 63.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.929 0.395 . . . . 0.0 111.227 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.19 29.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 HD12 ' A' ' 39' ' ' LEU . 12.6 mt -88.18 147.7 41.03 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.747 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.71 161.22 39.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.996 2.464 . . . . 0.0 111.568 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.34 -24.39 62.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 8.0 p-10 -132.21 119.66 21.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 1.9 mp -83.88 130.73 35.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.673 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -103.6 -179.63 4.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.6 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.544 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 37.5 ttm -64.33 -44.31 91.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.662 -174.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -60.05 -38.24 82.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.887 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -75.28 -42.15 55.58 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.508 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -57.15 -48.54 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.558 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 53' ' ' MET . 30.1 mt -64.74 -50.64 66.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.988 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -62.37 -39.7 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.902 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.39 -42.9 96.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.551 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.73 77.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.3 mmmt -68.13 -24.39 65.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 122.025 0.917 . . . . 0.0 110.248 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.01 -31.46 70.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.506 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.777 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 46.9 t . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 120.676 0.274 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.97 -31.26 66.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.508 0.67 . . . . 0.0 110.223 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 13.6 tpt -69.33 -43.23 74.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.571 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 12.3 pt-20 -63.85 -37.9 89.1 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.21 -36.01 78.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.259 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.2 -35.93 81.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.774 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.599 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.8 m-85 -66.84 -41.14 87.88 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.602 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 62.5 ttt180 -57.75 -46.09 84.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.702 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.13 -44.33 76.33 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.86 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.59 86.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.676 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.92 -42.71 85.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.261 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -63.88 -43.46 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.921 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.09 -47.27 83.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.744 0.307 . . . . 0.0 111.464 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.74 -36.19 75.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.668 0.271 . . . . 0.0 110.747 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.28 0.562 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.8 142.3 56.24 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.307 175.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.98 -31.4 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.036 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -75.92 -41.23 52.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.172 0.51 . . . . 0.0 110.221 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -79.58 -23.87 42.43 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 121.855 0.836 . . . . 0.0 109.674 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' HG3' ' A' ' 32' ' ' MET . 49.3 t80 -68.25 -39.78 82.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.461 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.614 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.709 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.1 pt-20 -67.04 -32.29 73.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.902 0.382 . . . . 0.0 110.398 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.3 tp -61.79 -38.31 87.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.318 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.3 -30.09 11.69 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.709 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.9 p30 -67.22 -25.06 65.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.753 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -67.22 -27.99 67.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.685 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -87.45 1.2 54.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.02 72.11 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -75.88 129.2 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.9 mt -95.51 115.33 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 47' ' ' LEU . 3.1 tt -133.42 120.42 20.89 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -90.09 169.42 11.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.17 -36.73 84.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 110.16 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.48 -40.11 85.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.585 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -39.24 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.743 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.548 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 29.0 mmmt -55.97 -34.79 66.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.645 0.26 . . . . 0.0 111.525 174.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.041 0.448 . . . . 0.0 110.794 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.53 -18.97 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.548 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 1.5 mt -69.4 126.89 92.97 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.606 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 149.0 81.4 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.757 2.305 . . . . 0.0 111.649 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -64.0 -25.98 68.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.871 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -114.49 115.5 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 170.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -105.58 120.81 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.357 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' C ' HD21 ' A' ' 52' ' ' ASN . 0.2 OUTLIER -109.16 -178.25 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.653 0.263 . . . . 0.0 111.609 176.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.602 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 44.9 tpp -56.61 -44.98 81.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.743 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.22 -46.09 75.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.762 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -71.41 -41.03 70.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.239 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 10.0 t-105 -57.41 -49.08 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.43 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.1 mt -63.88 -49.23 73.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.059 0.457 . . . . 0.0 110.35 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.26 -40.47 90.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.833 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.86 -45.67 92.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.002 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -44.95 72.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.479 ' C ' ' HD3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -71.3 -23.12 61.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.821 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 6.4 ttpm? -74.03 -22.23 59.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.253 0.549 . . . . 0.0 110.845 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.463 177.001 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 12.1 p . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.167 0.508 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.77 -38.66 70.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.024 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.47 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.5 tpt -68.55 -39.05 81.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.716 -177.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 3' ' ' SER . 12.2 pt-20 -59.38 -37.64 78.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.529 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 -37.59 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.638 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.39 -33.95 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.694 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.471 ' HB3' ' NE1' ' A' ' 56' ' ' TRP . 68.8 m-85 -72.37 -38.0 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.986 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 75.8 ttt180 -57.95 -46.1 85.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.231 0.539 . . . . 0.0 110.199 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.5 tt0 -59.07 -43.69 91.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.648 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 16' ' ' PHE . . . -67.36 -39.64 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -57.75 -41.65 82.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.905 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -60.91 -43.6 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.983 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 11' ' ' GLU . 4.4 mm? -67.22 -47.81 69.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.666 0.269 . . . . 0.0 111.696 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HD1' ' O ' ' A' ' 12' ' ' ALA . 45.0 m-85 -71.33 -35.89 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.912 178.452 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 121.359 0.6 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -58.52 138.61 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.049 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 49' ' ' ASN . 97.5 mtp -63.83 -28.69 70.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.837 -175.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -70.15 -31.59 69.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.06 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -85.18 -25.27 27.5 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.926 0.87 . . . . 0.0 109.755 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 32' ' ' MET . 80.3 t80 -56.12 -44.59 79.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.953 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -63.0 -39.66 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.714 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.4 pt-20 -66.8 -32.4 73.66 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.533 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.2 tp -63.26 -36.62 84.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.719 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 3.6 ppp? -102.07 -31.49 10.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -170.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.714 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.0 p30 -68.12 -23.93 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.846 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -62.42 -32.54 73.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.983 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.99 -1.33 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.046 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.07 13.38 62.19 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.051 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.71 132.55 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.94 0.4 . . . . 0.0 110.269 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 pt -114.76 151.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 44' ' ' LYS . 8.8 mt -122.37 144.06 49.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 15.6 p -91.18 167.42 12.35 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 175.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -58.18 -46.99 84.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.99 0.424 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.421 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.87 -46.98 87.04 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.58 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 39' ' ' LEU . 21.5 mtpp -56.89 -42.71 80.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.326 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.61 -18.21 61.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.53 -8.29 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.56 144.75 74.27 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.89 140.97 97.55 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.252 1.968 . . . . 0.0 110.704 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.421 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 49.1 m-80 -63.95 -26.76 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -114.27 116.4 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 170.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.6 mt -104.97 129.33 57.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -108.72 171.76 7.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.035 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 30.8 tpp -55.82 -37.72 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.097 0.475 . . . . 0.0 110.47 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.83 -49.33 75.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.443 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -70.81 -34.28 71.57 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.382 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 9' ' ' PHE . 9.2 t-105 -57.35 -48.94 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 111.624 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.9 mt -63.14 -47.05 84.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 0.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 44.7 t-20 -63.53 -42.08 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.117 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.434 ' CE2' HD21 ' A' ' 39' ' ' LEU . 16.8 t80 -61.27 -46.4 90.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.337 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.876 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -70.06 -22.94 63.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.918 -178.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -73.42 -34.1 65.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.088 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -179.064 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 18.6 t . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.884 0.373 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 14.6 t70 -66.45 -35.38 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.282 0.563 . . . . 0.0 110.094 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.485 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.9 tpt -64.46 -41.81 96.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.169 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG3' HD21 ' A' ' 57' ' ' LEU . 25.3 tt0 -60.55 -39.51 88.18 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 17.2 mm-40 -58.08 -49.45 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 75.1 mmtt -60.84 -41.79 96.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.277 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.1 m-85 -59.37 -37.29 77.53 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.659 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 41.6 ttp-105 -63.5 -47.55 81.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 19.8 mt-10 -63.79 -43.75 95.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.152 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.1 86.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.24 -45.91 91.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.47 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' ARG . 87.6 mt -59.9 -40.24 82.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.023 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -56.8 -48.08 78.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.774 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -77.04 -35.28 56.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.514 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.534 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.62 149.51 42.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.76 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.81 -29.17 59.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.498 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -76.36 -35.26 58.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.241 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -83.06 -33.34 26.45 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.88 0.848 . . . . 0.0 109.711 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' O ' ' HG3' ' A' ' 32' ' ' MET . 56.7 t80 -62.76 -44.82 95.2 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.477 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.956 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.694 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.0 pt-20 -66.67 -31.77 72.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.7 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.04 -39.82 95.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.096 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -98.26 -29.36 13.23 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.694 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.8 p30 -66.02 -25.06 66.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.207 176.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -66.27 -24.94 66.65 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.31 5.62 48.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.55 12.13 83.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.237 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -81.68 128.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.677 0.275 . . . . 0.0 110.323 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 pt -97.12 130.74 45.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.258 0.551 . . . . 0.0 111.145 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD12 HD22 ' A' ' 47' ' ' LEU . 4.7 tt -136.25 119.57 16.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.044 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 16.7 p -90.47 171.23 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.92 -40.36 88.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.663 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.7 -45.59 91.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.03 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 47' ' ' LEU . 44.2 mt-10 -62.55 -37.31 85.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.63 -177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 28.5 mtpp -54.47 -29.85 51.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.57 0.348 . . . . 0.0 110.916 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.29 -14.27 47.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.48 -20.89 19.27 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.963 0.887 . . . . 0.0 108.96 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 5.0 mp -68.99 130.45 91.48 Favored Pre-proline 0 N--CA 1.436 -1.127 0 CA-C-N 113.86 -1.518 . . . . 0.0 109.913 170.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.07 163.13 29.87 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.179 1.92 . . . . 0.0 110.894 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.44 -29.85 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.71 117.17 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -103.62 124.83 58.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.85 0.357 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.57 177.39 4.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.513 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.9 ttm -58.74 -35.24 72.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.204 0.315 . . . . 0.0 110.96 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -56.1 -49.06 74.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.598 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -68.73 -36.98 79.11 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.773 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 14.6 t-105 -57.14 -48.44 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.757 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 50.1 mt -64.23 -51.18 64.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.247 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.92 -41.19 97.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.085 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -61.49 -43.65 98.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.874 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.63 -34.59 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.757 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.0 mmmm -66.7 -28.39 68.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.448 0.642 . . . . 0.0 110.325 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.536 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 4.4 ttmp? -74.85 -42.98 56.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.563 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.065 179.835 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.668 0.271 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.68 -39.3 88.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.194 0.521 . . . . 0.0 110.276 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.4 tpt -67.55 -35.33 78.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.417 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.448 ' HG3' HD21 ' A' ' 57' ' ' LEU . 22.3 tt0 -56.83 -45.31 82.4 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.165 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.8 -38.1 86.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -61.56 -42.37 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.2 m-85 -71.76 -39.4 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 14' ' ' ILE . 75.9 ttt180 -59.27 -46.38 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.467 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.83 -43.24 85.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.272 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -71.15 -40.56 71.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.29 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.17 -45.87 86.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.551 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.6 mt -59.79 -38.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.34 -46.13 74.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 62.7 m-85 -76.12 -30.05 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.775 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -176.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.16 140.69 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.169 173.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.55 -30.35 65.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.452 -176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.2 p90 -75.75 -30.19 59.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.583 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 mmtp -86.76 -32.59 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.436 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.508 ' O ' ' HG3' ' A' ' 32' ' ' MET . 62.5 t80 -58.25 -43.98 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.868 -177.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.5 -34.98 79.53 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.965 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.522 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 2.9 mm-40 -66.68 -37.02 83.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.538 0.685 . . . . 0.0 109.736 174.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 22.3 tp -61.15 -38.24 85.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.671 -1.15 . . . . 0.0 112.255 -175.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.12 -31.86 10.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.4 p30 -68.7 -25.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.964 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.92 -24.89 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.508 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.15 5.45 46.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.891 0.377 . . . . 0.0 111.004 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.68 7.29 75.41 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.896 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 80.5 mt -87.72 126.75 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -104.31 129.04 57.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.519 0.675 . . . . 0.0 111.455 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 5.5 tt -135.28 120.76 19.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -86.37 169.55 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 28.1 t-20 -55.12 -47.09 75.51 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.341 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.94 -37.61 80.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HB2' HD23 ' A' ' 39' ' ' LEU . 47.2 mt-10 -71.76 -47.34 54.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.617 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.48 -33.21 73.38 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.21 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 -1.34 57.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.473 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.617 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 22.5 mt -79.58 155.3 76.18 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.82 151.77 46.49 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.345 2.03 . . . . 0.0 111.891 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.67 -30.49 71.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.889 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.94 120.32 32.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.8 mt -98.81 118.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.337 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -90.6 162.48 14.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.716 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.575 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.4 ttm -55.82 -36.81 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.661 0.267 . . . . 0.0 110.729 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.03 -38.3 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.209 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -66.63 -42.37 86.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 5.4 t-105 -59.43 -48.23 82.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.784 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 53' ' ' MET . 54.0 mt -62.68 -48.01 81.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 25.3 t-20 -62.21 -43.15 99.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.603 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.5 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 10.9 t80 -61.3 -45.69 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.471 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.59 72.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.531 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -69.1 -23.82 64.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 -178.062 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -72.35 -26.29 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.94 179.456 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 33.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.957 0.408 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 13.4 t70 -67.35 -39.84 85.78 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.247 0.546 . . . . 0.0 109.886 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.8 mmm -68.94 -40.19 79.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.83 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 3' ' ' SER . 11.0 pt-20 -64.11 -38.21 90.26 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -175.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 11.9 pt-20 -63.16 -36.68 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mmtp -65.98 -42.66 89.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.923 176.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.1 m-85 -61.08 -40.97 95.7 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.049 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.172 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.4 tt0 -63.28 -44.12 95.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.9 84.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.16 -47.18 84.16 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.19 -41.4 91.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.309 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -57.01 -40.37 76.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.501 . . . . 0.0 110.162 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -77.59 -19.57 55.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.678 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.119 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 51' ' ' ILE . 3.4 tt . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.1 166.99 16.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.559 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -40.49 63.08 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.212 0.32 . . . . 0.0 111.614 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -75.83 -33.44 60.06 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 111.376 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -84.63 -17.83 37.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.628 0.728 . . . . 0.0 110.123 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.67 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 76.5 t80 -79.42 -37.8 36.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 11.9 t80 -69.07 -33.29 73.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.077 -175.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.697 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.76 -31.66 72.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.46 -29.41 68.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.669 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.67 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.5 ptp -100.88 -30.16 11.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 6.0 p30 -64.81 -23.53 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.75 -178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -65.37 -28.9 69.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.491 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -92.37 -6.09 50.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.166 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.23 59.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.958 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 36.0 mm -70.46 135.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.653 0.264 . . . . 0.0 110.703 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.3 mt -95.95 115.87 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-O 121.09 0.472 . . . . 0.0 110.334 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 54.3 tp -135.4 119.92 18.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -88.88 169.8 11.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.74 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.63 -43.4 98.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.931 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.38 -37.26 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 44.3 mt-10 -68.38 -43.62 76.93 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 21.9 mtpp -56.91 -34.96 68.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.282 176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.45 61.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.92 -12.03 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 18.5 mt -78.01 153.19 80.06 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.17 148.45 91.24 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 111.38 176.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -62.78 -30.55 71.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.22 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -123.07 119.26 29.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 94.4 mt -105.54 138.79 29.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -120.66 -178.91 3.83 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.503 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 46.6 ttm -56.17 -33.45 65.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.68 -49.98 74.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.072 -176.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.401 ' HB3' HG22 ' A' ' 51' ' ' ILE . 69.7 t80 -75.36 -30.11 60.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.486 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.24 -48.77 77.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.837 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.709 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 32.4 mt -65.38 -49.5 69.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.18 0.514 . . . . 0.0 110.013 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.794 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 43.7 t80 -61.16 -43.66 98.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.31 99.76 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.686 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 29.2 mmtp -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.024 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.17 -49.73 70.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.848 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.052 0.453 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 24.9 t70 -70.22 -43.06 71.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.136 0.493 . . . . 0.0 110.515 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.503 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 95.1 mmm -67.19 -33.26 75.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.098 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.484 ' HG3' HD13 ' A' ' 57' ' ' LEU . 32.1 tt0 -54.26 -44.84 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.01 -40.9 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.791 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 45.0 mmtm -66.71 -47.36 72.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.813 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 5' ' ' MET . 53.3 m-85 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.608 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 79.6 ttt180 -58.41 -46.8 85.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.155 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.5 tt0 -68.42 -44.18 75.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.33 -177.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.01 83.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -57.61 -45.25 85.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.8 mt -61.74 -43.64 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.86 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 86.0 mt -62.22 -42.62 99.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.47 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.13 -43.67 42.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.326 -0.437 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.44 -174.171 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -59.69 134.86 57.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.0 mmt -61.61 -34.14 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.927 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -73.05 -35.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 110.553 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -80.67 -28.56 36.75 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 68.5 t80 -60.04 -41.23 91.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.771 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -68.38 -46.5 69.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.937 -175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.68 -29.15 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.148 0.499 . . . . 0.0 110.691 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.4 tm? -58.71 -39.01 79.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.131 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 15.3 ptp -86.59 -30.3 21.95 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.636 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 51.9 m-20 -59.1 -30.82 68.39 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.172 0.51 . . . . 0.0 109.751 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -64.38 -24.95 67.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.533 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.82 1.61 48.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.265 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.29 20.25 64.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.26 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.3 mt -87.9 131.15 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.696 0.284 . . . . 0.0 110.638 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.45 119.97 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB2' ' SD ' ' A' ' 32' ' ' MET . 56.4 tp -112.25 120.48 41.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -88.08 166.57 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.402 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.22 -33.96 77.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.34 -46.27 87.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.74 -37.87 87.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.443 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' HZ1' ' CD2' ' A' ' 39' ' ' LEU . 36.4 mttm -55.71 -40.62 72.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.725 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -15.42 63.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.074 0.464 . . . . 0.0 110.671 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.81 19.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.21 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 8.5 mt -75.99 136.76 69.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.92 153.82 48.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.746 2.297 . . . . 0.0 111.279 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.57 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.863 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.06 115.29 30.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.36 133.87 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.493 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.428 HD22 ' HB3' ' A' ' 54' ' ' ASP . 26.1 p-10 -125.81 -174.02 2.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.615 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 45.1 ttm -65.62 -40.42 92.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.437 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 52' ' ' ASN . 24.1 t70 -59.4 -47.83 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.358 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.75 -42.5 95.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.06 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -59.31 -48.26 82.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.223 0.535 . . . . 0.0 111.072 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 HD13 ' HG3' ' A' ' 6' ' ' GLU . 10.4 tp -58.92 -50.24 74.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.326 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.97 -40.16 95.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.003 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.57 -41.98 91.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 109.556 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -68.45 -46.38 69.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.157 -177.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -24.59 61.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.416 0.627 . . . . 0.0 111.149 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.06 -49.37 10.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.062 -176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.444 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 1.2 p80 . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.249 -172.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptm . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.63 80.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.6 t -60.55 -41.25 94.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.144 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.36 -40.88 94.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 110.409 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.59 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.2 tpt -67.6 -35.79 79.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.172 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' HG3' HD21 ' A' ' 57' ' ' LEU . 20.0 tt0 -57.25 -39.94 76.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.124 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.02 -43.77 82.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -66.53 -37.97 86.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.112 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.59 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.6 m-85 -65.57 -40.19 92.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.178 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 44.4 ttm105 -64.1 -45.25 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.958 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 39.1 tt0 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -67.38 -38.05 84.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 34.7 t80 -57.08 -48.91 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.742 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.66 -36.87 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.375 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 91.2 mt -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.664 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HD2' ' O ' ' A' ' 12' ' ' ALA . 29.0 m-85 -76.08 -42.35 47.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.96 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 19' ' ' CYS . 79.9 p -80.39 -17.6 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.974 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 p 69.04 -28.81 0.16 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.976 1.31 . . . . 0.0 112.339 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 17' ' ' SER . 14.5 t -164.98 173.09 11.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.4 p 60.72 177.26 0.1 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.061 0.944 . . . . 0.0 111.877 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.39 6.67 37.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.624 0.726 . . . . 0.0 109.951 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -114.28 145.56 41.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.103 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 21.3 tt -116.82 138.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.05 0.452 . . . . 0.0 110.81 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.21 143.26 58.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.503 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.2 -32.05 73.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.265 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -76.32 -30.99 57.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.539 0.685 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' CD ' ' A' ' 30' ' ' GLU . 17.7 tppt? -85.48 -7.99 58.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.846 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.517 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.7 t80 -79.46 -44.45 21.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.959 -1.019 . . . . 0.0 112.575 -174.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 26.7 t80 -68.26 -36.2 79.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.704 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.684 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 12.8 pt-20 -66.08 -30.39 70.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.628 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.1 tp -60.63 -34.82 74.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.949 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.646 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 63.0 mtm -88.8 -33.52 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.684 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.5 p30 -67.45 -22.84 65.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -64.61 -29.36 70.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.207 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -97.61 -9.71 26.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.65 58.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.318 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.82 126.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.702 0.286 . . . . 0.0 110.314 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.11 142.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.601 . . . . 0.0 111.633 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD11 ' CE ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -104.31 123.7 47.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.802 -178.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 p -86.5 163.8 17.31 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.947 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.91 -43.89 86.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.745 0.307 . . . . 0.0 110.82 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.61 -40.37 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 37.9 mt-10 -70.67 -43.89 68.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.827 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.49 ' HG2' HD13 ' A' ' 39' ' ' LEU . 17.5 mtpp -56.66 -36.01 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 111.234 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.13 -14.37 61.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.79 -19.4 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 43' ' ' GLU . 10.3 mt -74.04 137.44 75.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.92 147.82 94.37 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.866 2.377 . . . . 0.0 111.235 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.07 -22.94 67.14 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -115.24 116.7 28.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -106.46 130.44 58.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -109.42 -175.13 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.187 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.671 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 38.2 tpp -60.97 -45.67 93.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.993 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.04 -42.26 98.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.722 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.64 -41.63 96.0 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.735 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.646 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 8.3 t-105 -57.96 -49.04 78.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.811 176.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.747 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 62.9 mt -58.95 -49.37 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.855 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.2 -46.24 78.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.887 0.742 . . . . 0.0 111.104 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -60.86 -38.68 86.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.28 0.562 . . . . 0.0 109.551 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.6 -27.88 66.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.431 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 1.2 mmpm? -67.29 -37.48 83.49 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.588 0.708 . . . . 0.0 109.514 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 62' ' ' LYS . 34.5 ttpt -72.4 -47.74 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.543 -175.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -76.38 -33.43 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 110.248 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.432 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 0.3 OUTLIER 37.94 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.161 -1.382 . . . . 0.0 112.062 -166.52 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.432 ' H ' ' HB3' ' A' ' 64' ' ' TYR . 13.9 t-20 -167.32 32.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.99 0.9 . . . . 0.0 109.021 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -123.68 17.27 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.165 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -56.08 -48.58 75.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.082 0.468 . . . . 0.0 110.053 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -169.66 90.3 0.55 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.29 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.06 130.57 40.98 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.648 2.232 . . . . 0.0 111.576 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 60.22 50.41 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.519 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 74' ' ' ASN . 3.1 tmtm? -73.96 108.96 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -104.58 165.11 11.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.841 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.1 tt 45.25 47.31 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 112.743 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' HB3' ' HE3' ' A' ' 71' ' ' LYS . 46.7 t30 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.913 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.03 0.443 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB3' ' HE3' ' A' ' 61' ' ' LYS . . . -64.61 -43.55 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.398 -173.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t -63.9 -35.86 82.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.709 0.29 . . . . 0.0 110.599 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 20.1 t70 -67.65 -43.11 81.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.104 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.561 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.0 tpt -63.64 -36.88 85.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.513 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' HG3' HD21 ' A' ' 57' ' ' LEU . 26.4 tt0 -60.92 -40.66 94.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.742 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 3' ' ' SER . 51.0 mm-40 -56.65 -48.43 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.221 0.534 . . . . 0.0 110.251 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 1.1 mptm? -59.57 -45.29 92.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.222 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 23.4 m-85 -62.19 -42.55 99.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.936 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.614 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 43.7 ttm105 -60.34 -46.83 88.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.165 0.507 . . . . 0.0 110.957 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.58 -45.31 90.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.351 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.41 78.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.384 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -57.75 -46.93 83.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.051 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.92 -36.33 66.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.368 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -57.78 -45.72 85.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.805 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -76.96 -30.16 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -92.03 10.78 27.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.137 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -22.43 34.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.591 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.06 -65.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.462 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 p -111.89 136.09 51.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -76.62 -19.25 58.02 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.901 0.382 . . . . 0.0 110.604 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -101.72 138.34 38.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 167.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 tt -100.13 126.26 53.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.946 0.879 . . . . 0.0 111.708 -170.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.07 147.68 46.54 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.357 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.482 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 26.3 mmt -55.34 -29.77 58.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.937 -174.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 30.1 p90 -73.3 -34.87 65.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.063 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 49.0 mmtt -86.13 -22.14 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.332 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 25' ' ' MET . 63.0 t80 -67.61 -45.02 76.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.963 -176.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -69.48 -39.68 77.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.022 -176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.03 -30.53 71.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 32.1 tp -60.65 -34.44 74.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 65.1 mtm -89.1 -34.67 16.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -21.46 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.8 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.1 m -66.28 -34.27 77.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -91.51 -1.89 57.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.18 21.64 62.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.53 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' CE1' ' A' ' 63' ' ' HIS . 92.9 mt -88.75 125.88 41.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 pt -105.98 144.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 0.0 110.651 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.559 ' CD1' HD12 ' A' ' 47' ' ' LEU . 1.9 tt -135.94 121.05 18.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -80.15 162.75 24.56 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.458 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.38 -38.41 91.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.653 0.263 . . . . 0.0 110.84 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.67 -40.53 97.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.02 -38.52 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.738 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CG ' HD21 ' A' ' 39' ' ' LEU . 23.1 mtpp -56.71 -38.1 71.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 111.444 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.83 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.839 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.57 -6.95 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 39' ' ' LEU . 21.5 mt -78.53 153.08 78.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.162 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.72 147.51 87.6 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.91 2.407 . . . . 0.0 111.918 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -66.27 -24.6 66.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.091 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -127.08 119.25 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -105.22 127.47 59.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.3 -179.27 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.614 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 50.1 ttm -56.52 -33.59 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.549 0.214 . . . . 0.0 111.313 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.68 -50.16 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -75.06 -30.32 60.96 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.619 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 11.2 t-105 -57.83 -48.99 78.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.794 0.33 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.796 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 43.5 mt -65.03 -49.86 68.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.522 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -54.57 -48.85 71.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.242 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.0 97.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -61.71 -42.76 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.693 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.796 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 12.8 mmmm -69.27 -29.48 67.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.569 0.7 . . . . 0.0 110.223 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -81.87 -48.37 11.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.368 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.451 ' CE1' HG12 ' A' ' 37' ' ' ILE . 1.6 p80 -66.07 -30.95 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 -174.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -105.14 -161.75 0.83 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.11 -177.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 t30 67.86 32.62 5.14 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 122.393 1.092 . . . . 0.0 109.31 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -92.09 144.32 25.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.096 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 43.4 mt-10 -100.89 -3.29 30.0 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.15 0.5 . . . . 0.0 110.356 -177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -110.67 92.61 14.67 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.609 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 15.0 Cg_exo -68.95 100.52 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.787 2.324 . . . . 0.0 111.722 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -79.25 62.83 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.609 0.718 . . . . 0.0 111.412 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -86.68 9.1 19.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.548 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -84.42 -17.31 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.222 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 tp -101.99 -39.76 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.279 0.561 . . . . 0.0 109.721 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 t30 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.444 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.79 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.44 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -63.23 -33.9 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.38 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.52 -45.5 62.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.202 0.525 . . . . 0.0 109.698 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.649 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' HD23 ' A' ' 57' ' ' LEU . 35.1 tt0 -56.63 -40.92 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.291 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.29 -38.61 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.549 . . . . 0.0 110.145 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.42 -44.17 83.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.312 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -62.21 -34.15 75.93 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.405 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 71.8 ttt180 -57.72 -47.45 82.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.483 . . . . 0.0 110.26 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 36.4 tt0 -69.81 -44.52 69.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.064 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.8 90.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.444 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 57.7 t80 -58.07 -44.85 87.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.75 -36.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.983 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 83.0 mt -60.54 -47.13 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.336 . . . . 0.0 110.838 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -77.23 -30.32 54.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 t -97.0 4.42 51.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 71.98 -68.75 0.21 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 111.344 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.3 m -146.98 -34.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.963 0.411 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -63.9 138.24 58.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.203 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.87 -14.42 58.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -98.15 129.18 44.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 19.9 tt -104.18 133.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 0.0 112.011 -171.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.16 136.21 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.379 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.02 69.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.921 -173.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.3 p90 -72.79 -30.67 64.28 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.419 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 35.6 mmtt -86.29 -16.82 36.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.25 -45.15 70.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.434 -172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -69.84 -44.05 70.7 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.89 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.26 -30.8 71.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.627 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.07 -39.59 86.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.441 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.523 ' CE ' HD13 ' A' ' 39' ' ' LEU . 13.8 ptp -89.07 -31.26 18.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -21.65 65.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.082 -0.647 . . . . 0.0 109.697 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.9 t -64.09 -25.0 67.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -97.54 8.14 45.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.59 7.26 88.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.571 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.3 mt -86.65 134.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 110.332 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 pt -108.09 150.05 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 0.0 111.405 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 HD13 ' CE ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -123.25 123.7 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.871 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.5 p -88.94 163.18 15.7 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.859 -0.737 . . . . 0.0 111.872 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.81 -42.74 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.14 -41.23 87.78 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.047 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.42 -49.08 52.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.614 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG2' HD12 ' A' ' 39' ' ' LEU . 25.3 mtpp -56.57 -39.66 73.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 111.569 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.24 -15.1 63.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.26 0.81 18.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.892 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD13 HD11 ' A' ' 39' ' ' LEU . 20.3 mt -84.19 147.95 51.9 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.15 143.64 96.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.619 2.212 . . . . 0.0 111.503 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.81 -32.02 73.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.627 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -115.02 116.51 28.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.03 127.43 61.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.85 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -99.08 167.72 10.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.435 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.537 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.7 ttm -55.21 -34.39 63.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.579 0.228 . . . . 0.0 111.374 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.32 -42.66 82.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.565 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.06 -34.61 73.42 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.422 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -59.0 -48.7 80.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.412 . . . . 0.0 110.441 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 53' ' ' MET . 40.0 mt -58.82 -48.12 82.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.885 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.92 -44.75 95.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.785 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -62.67 -45.9 90.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.368 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.74 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -69.89 -23.54 63.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -178.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 62' ' ' LYS . 4.7 ttmp? -70.35 -31.42 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -70.86 -30.47 66.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.098 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -138.71 73.33 1.43 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.677 . . . . 0.0 111.702 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 13.7 t-20 -119.8 29.05 7.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.175 0.988 . . . . 0.0 109.036 175.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -90.4 50.37 1.83 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.912 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.75 -48.53 69.6 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.773 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -132.33 88.42 39.9 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.125 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.86 104.0 0.36 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.111 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.85 -53.91 10.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.209 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm 60.24 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.5 m170 65.15 175.64 0.21 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.378 0.671 . . . . 0.0 112.142 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.6 tt 44.59 44.46 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 122.365 1.078 . . . . 0.0 111.332 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.096 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 33.9 tpp . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.072 0.463 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.89 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.919 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.018 0.437 . . . . 0.0 110.928 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.457 ' H ' ' HG3' ' A' ' 1' ' ' MET . 32.2 t70 -73.07 -35.72 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 109.964 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.3 tpt -67.01 -41.26 86.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.633 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 11.7 pt-20 -63.82 -36.5 84.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.995 0.426 . . . . 0.0 110.491 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.88 -36.74 84.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 4' ' ' ASP . 54.7 mtpt -60.24 -38.84 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.581 0.229 . . . . 0.0 110.484 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 23.6 m-85 -62.08 -43.55 98.58 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 55.2 ttt180 -60.7 -46.71 89.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.54 -43.83 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.371 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.47 70.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.77 -41.17 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.514 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 81.8 mt -60.11 -36.5 68.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.0 110.432 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.64 -47.62 77.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' ASP . 3.7 m-85 -76.79 -44.95 30.72 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.642 ' C ' ' HB2' ' A' ' 21' ' ' ASP . 66.2 m -109.33 12.82 24.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -168.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.505 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 15.5 m -7.96 -80.56 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.444 1.498 . . . . 0.0 114.855 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' C ' ' H ' ' A' ' 21' ' ' ASP . 4.7 p -130.59 -82.8 0.54 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.215 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.8 m -86.2 29.05 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.757 1.265 . . . . 0.0 108.733 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.642 ' HB2' ' C ' ' A' ' 17' ' ' SER . 6.3 m-20 -105.24 19.27 20.89 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.56 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -76.49 145.26 39.29 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 121.666 0.746 . . . . 0.0 109.579 -164.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 27' ' ' LYS . 10.3 tt -99.53 127.06 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 114.512 -1.222 . . . . 0.0 113.413 -147.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.4 162.26 27.37 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.526 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.86 -32.01 71.45 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.86 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -72.77 -39.03 67.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.575 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 23' ' ' ILE . 4.1 tmtm? -83.51 -12.29 56.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.131 0.967 . . . . 0.0 109.44 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 48.3 t80 -79.11 -33.54 44.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.588 -175.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 39' ' ' LEU . 3.4 t80 -70.01 -33.92 72.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.388 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.767 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 7.2 pt-20 -66.1 -30.12 70.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.629 177.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 49.4 tp -63.1 -38.2 90.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 173.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 39' ' ' LEU . 10.4 ptp -91.98 -31.17 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.767 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.6 p30 -67.14 -22.97 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.257 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -66.3 -24.8 66.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.828 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -97.56 -8.32 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.999 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.09 19.97 60.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.466 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.84 137.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.6 pt -110.24 150.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.983 0.42 . . . . 0.0 110.734 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -121.6 129.47 52.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.115 -175.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -91.05 162.39 14.72 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.196 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.47 -42.44 92.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.661 0.267 . . . . 0.0 111.044 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -59.86 -40.8 89.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.6 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.53 -47.01 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' A' ' 39' ' ' LEU . 27.8 mtpp -56.56 -41.5 76.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.477 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -15.29 63.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.929 0.395 . . . . 0.0 111.227 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.19 29.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 HD12 ' A' ' 39' ' ' LEU . 12.6 mt -88.18 147.7 41.03 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.747 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.71 161.22 39.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.996 2.464 . . . . 0.0 111.568 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.34 -24.39 62.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 8.0 p-10 -132.21 119.66 21.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 1.9 mp -83.88 130.73 35.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.673 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -103.6 -179.63 4.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.6 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.544 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 37.5 ttm -64.33 -44.31 91.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.662 -174.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -60.05 -38.24 82.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.887 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -75.28 -42.15 55.58 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.508 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -57.15 -48.54 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.558 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 53' ' ' MET . 30.1 mt -64.74 -50.64 66.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.988 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -62.37 -39.7 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.902 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.39 -42.9 96.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.551 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.73 77.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.3 mmmt -68.13 -24.39 65.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 122.025 0.917 . . . . 0.0 110.248 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.01 -31.46 70.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.506 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -77.4 -30.41 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.777 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 168.2 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.408 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.16 33.62 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.912 0.863 . . . . 0.0 109.403 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -98.35 48.29 0.99 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.95 0.881 . . . . 0.0 110.335 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -85.03 -35.33 21.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.714 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 57.04 71.31 1.15 Allowed Pre-proline 0 CA--C 1.534 0.342 0 O-C-N 123.735 0.647 . . . . 0.0 111.011 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.38 126.48 3.65 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.533 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -89.75 42.06 1.07 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HZ1' ' C ' ' A' ' 74' ' ' ASN . 27.1 tptp -90.21 81.95 6.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.42 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -96.44 -86.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.19 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -103.4 -17.2 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.775 0.321 . . . . 0.0 111.599 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' HZ1' ' A' ' 71' ' ' LYS . 6.6 t30 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.744 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.71 70.08 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -166.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 46.9 t -62.05 -42.51 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.676 0.274 . . . . 0.0 111.657 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.97 -31.26 66.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.508 0.67 . . . . 0.0 110.223 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 13.6 tpt -69.33 -43.23 74.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.571 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 12.3 pt-20 -63.85 -37.9 89.1 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.21 -36.01 78.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.259 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.2 -35.93 81.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.774 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.599 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.8 m-85 -66.84 -41.14 87.88 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.602 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 62.5 ttt180 -57.75 -46.09 84.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.702 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.13 -44.33 76.33 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.86 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.59 86.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.676 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.92 -42.71 85.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.261 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -63.88 -43.46 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.921 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.09 -47.27 83.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.744 0.307 . . . . 0.0 111.464 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.74 -36.19 75.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -84.72 -18.49 35.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.668 0.271 . . . . 0.0 110.747 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.9 m 67.54 -73.14 0.08 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.9 m -142.2 41.44 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.27 0.557 . . . . 0.0 109.907 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -134.28 147.41 50.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.98 -13.97 37.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.424 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 58.0 m170 -122.18 141.59 51.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.625 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp -101.7 134.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.28 0.562 . . . . 0.0 111.085 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.8 142.3 56.24 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.307 175.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.98 -31.4 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.036 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -75.92 -41.23 52.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.172 0.51 . . . . 0.0 110.221 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -79.58 -23.87 42.43 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 121.855 0.836 . . . . 0.0 109.674 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' HG3' ' A' ' 32' ' ' MET . 49.3 t80 -68.25 -39.78 82.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.461 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.614 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.709 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.1 pt-20 -67.04 -32.29 73.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.902 0.382 . . . . 0.0 110.398 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.3 tp -61.79 -38.31 87.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.318 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.3 -30.09 11.69 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.709 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.9 p30 -67.22 -25.06 65.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.753 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -67.22 -27.99 67.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.685 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -87.45 1.2 54.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.02 72.11 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -75.88 129.2 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.9 mt -95.51 115.33 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 47' ' ' LEU . 3.1 tt -133.42 120.42 20.89 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -90.09 169.42 11.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.17 -36.73 84.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 110.16 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.48 -40.11 85.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.585 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -39.24 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.743 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.548 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 29.0 mmmt -55.97 -34.79 66.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.645 0.26 . . . . 0.0 111.525 174.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.041 0.448 . . . . 0.0 110.794 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.53 -18.97 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 1.5 mt -69.4 126.89 92.97 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.606 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 149.0 81.4 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.757 2.305 . . . . 0.0 111.649 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -64.0 -25.98 68.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.871 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -114.49 115.5 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 170.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 68.8 mt -105.58 120.81 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.357 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' C ' HD21 ' A' ' 52' ' ' ASN . 0.2 OUTLIER -109.16 -178.25 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.653 0.263 . . . . 0.0 111.609 176.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.602 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 44.9 tpp -56.61 -44.98 81.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.743 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.22 -46.09 75.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.762 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -71.41 -41.03 70.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.239 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 10.0 t-105 -57.41 -49.08 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.43 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.1 mt -63.88 -49.23 73.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.059 0.457 . . . . 0.0 110.35 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.26 -40.47 90.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.833 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.86 -45.67 92.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.002 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -44.95 72.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' C ' ' HD3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -71.3 -23.12 61.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.821 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 6.4 ttpm? -74.03 -22.23 59.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.253 0.549 . . . . 0.0 110.845 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.02 -28.64 57.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.463 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.409 ' HH ' ' HZ ' ' A' ' 9' ' ' PHE . 1.1 p90 -145.18 80.63 1.61 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.74 70.58 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.543 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -77.39 52.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.255 0.55 . . . . 0.0 110.697 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.81 -32.01 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.804 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -163.22 102.94 0.99 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.873 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.9 65.46 8.92 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.708 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -87.07 72.74 9.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.868 0.842 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -63.09 -16.43 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.119 -174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.467 ' CD2' HG13 ' A' ' 73' ' ' ILE . 24.0 p-80 -67.58 -10.74 54.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.696 0.284 . . . . 0.0 111.389 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 72' ' ' HIS . 51.8 mt -124.86 88.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.337 -0.84 . . . . 0.0 109.948 -179.432 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.78 76.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.693 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 12.1 p -67.72 -34.43 76.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.895 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.77 -38.66 70.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.024 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.47 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.5 tpt -68.55 -39.05 81.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.716 -177.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 3' ' ' SER . 12.2 pt-20 -59.38 -37.64 78.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.529 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 -37.59 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.638 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.39 -33.95 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.694 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.471 ' HB3' ' NE1' ' A' ' 56' ' ' TRP . 68.8 m-85 -72.37 -38.0 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.986 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 75.8 ttt180 -57.95 -46.1 85.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.231 0.539 . . . . 0.0 110.199 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.5 tt0 -59.07 -43.69 91.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.648 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 16' ' ' PHE . . . -67.36 -39.64 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -57.75 -41.65 82.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.905 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -60.91 -43.6 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.983 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 11' ' ' GLU . 4.4 mm? -67.22 -47.81 69.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.666 0.269 . . . . 0.0 111.696 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HD1' ' O ' ' A' ' 12' ' ' ALA . 45.0 m-85 -71.33 -35.89 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 20' ' ' SER . 9.0 t -85.73 -19.63 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.912 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.5 m 69.87 -67.76 0.22 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.589 0.755 . . . . 0.0 112.23 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -152.6 32.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.603 0.716 . . . . 0.0 109.802 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.422 ' HB2' ' OG ' ' A' ' 17' ' ' SER . 40.8 m -118.88 156.99 28.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -90.53 -39.1 12.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.104 0.478 . . . . 0.0 110.562 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -112.03 145.58 39.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.917 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.3 tt -103.81 128.92 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.359 0.6 . . . . 0.0 111.194 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -58.52 138.61 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.049 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 49' ' ' ASN . 97.5 mtp -63.83 -28.69 70.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.837 -175.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -70.15 -31.59 69.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.06 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -85.18 -25.27 27.5 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.926 0.87 . . . . 0.0 109.755 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 32' ' ' MET . 80.3 t80 -56.12 -44.59 79.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.953 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -63.0 -39.66 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.714 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.4 pt-20 -66.8 -32.4 73.66 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.533 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.2 tp -63.26 -36.62 84.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.719 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 3.6 ppp? -102.07 -31.49 10.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -170.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.714 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.0 p30 -68.12 -23.93 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.846 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -62.42 -32.54 73.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.983 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.99 -1.33 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.046 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.07 13.38 62.19 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.051 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.71 132.55 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.94 0.4 . . . . 0.0 110.269 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 pt -114.76 151.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 44' ' ' LYS . 8.8 mt -122.37 144.06 49.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 15.6 p -91.18 167.42 12.35 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 175.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -58.18 -46.99 84.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.99 0.424 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.421 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.87 -46.98 87.04 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.58 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 39' ' ' LEU . 21.5 mtpp -56.89 -42.71 80.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.326 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.61 -18.21 61.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.53 -8.29 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.56 144.75 74.27 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.89 140.97 97.55 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.252 1.968 . . . . 0.0 110.704 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.421 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 49.1 m-80 -63.95 -26.76 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -114.27 116.4 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 170.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.6 mt -104.97 129.33 57.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -108.72 171.76 7.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.035 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 30.8 tpp -55.82 -37.72 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.097 0.475 . . . . 0.0 110.47 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.83 -49.33 75.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.443 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -70.81 -34.28 71.57 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.382 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 9' ' ' PHE . 9.2 t-105 -57.35 -48.94 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 111.624 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.9 mt -63.14 -47.05 84.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 0.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 44.7 t-20 -63.53 -42.08 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.117 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.434 ' CE2' HD21 ' A' ' 39' ' ' LEU . 16.8 t80 -61.27 -46.4 90.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.337 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.876 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -70.06 -22.94 63.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.918 -178.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -73.42 -34.1 65.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.088 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -69.59 -29.95 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 61' ' ' LYS . 23.2 p90 -114.98 35.77 4.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.514 0.673 . . . . 0.0 110.875 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -89.43 69.55 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -118.64 155.67 30.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.904 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -86.37 4.54 38.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.198 0.523 . . . . 0.0 111.257 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.63 72.83 0.26 Allowed Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.69 175.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -90.7 163.38 4.18 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.656 2.237 . . . . 0.0 111.306 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -83.16 49.48 1.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.326 0.584 . . . . 0.0 109.912 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -80.48 72.52 7.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.161 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -97.37 -6.59 33.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.95 -8.87 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.201 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.962 177.426 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.484 ' HA ' ' OH ' ' A' ' 64' ' ' TYR . . . -60.19 -34.84 74.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.203 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 18.6 t -66.31 -40.91 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 110.164 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 14.6 t70 -66.45 -35.38 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.282 0.563 . . . . 0.0 110.094 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.485 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.9 tpt -64.46 -41.81 96.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.169 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG3' HD21 ' A' ' 57' ' ' LEU . 25.3 tt0 -60.55 -39.51 88.18 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 17.2 mm-40 -58.08 -49.45 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 75.1 mmtt -60.84 -41.79 96.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.277 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.1 m-85 -59.37 -37.29 77.53 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.659 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 41.6 ttp-105 -63.5 -47.55 81.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 19.8 mt-10 -63.79 -43.75 95.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.152 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.1 86.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.24 -45.91 91.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.47 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' ARG . 87.6 mt -59.9 -40.24 82.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.023 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -56.8 -48.08 78.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.774 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -77.04 -35.28 56.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.514 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -86.51 -0.04 55.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 t -68.17 72.7 0.19 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.424 0.631 . . . . 0.0 110.858 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.9 t -174.87 -40.4 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.78 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -137.42 175.88 9.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.206 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.38 -34.23 21.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.351 0.595 . . . . 0.0 110.279 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 38.4 m80 -107.39 157.59 17.85 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -101.91 127.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.62 149.51 42.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.76 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.81 -29.17 59.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.498 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -76.36 -35.26 58.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.241 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -83.06 -33.34 26.45 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.88 0.848 . . . . 0.0 109.711 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' O ' ' HG3' ' A' ' 32' ' ' MET . 56.7 t80 -62.76 -44.82 95.2 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.477 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.956 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.694 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.0 pt-20 -66.67 -31.77 72.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.7 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.04 -39.82 95.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.096 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -98.26 -29.36 13.23 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.694 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.8 p30 -66.02 -25.06 66.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.207 176.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -66.27 -24.94 66.65 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.31 5.62 48.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.55 12.13 83.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.237 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -81.68 128.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.677 0.275 . . . . 0.0 110.323 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 pt -97.12 130.74 45.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.258 0.551 . . . . 0.0 111.145 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD12 HD22 ' A' ' 47' ' ' LEU . 4.7 tt -136.25 119.57 16.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.044 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 16.7 p -90.47 171.23 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.92 -40.36 88.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.663 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.7 -45.59 91.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.03 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 47' ' ' LEU . 44.2 mt-10 -62.55 -37.31 85.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.63 -177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 28.5 mtpp -54.47 -29.85 51.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.57 0.348 . . . . 0.0 110.916 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.29 -14.27 47.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.48 -20.89 19.27 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.963 0.887 . . . . 0.0 108.96 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 5.0 mp -68.99 130.45 91.48 Favored Pre-proline 0 N--CA 1.436 -1.127 0 CA-C-N 113.86 -1.518 . . . . 0.0 109.913 170.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.07 163.13 29.87 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.179 1.92 . . . . 0.0 110.894 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.44 -29.85 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 8.4 m-20 -111.71 117.17 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -103.62 124.83 58.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.85 0.357 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.57 177.39 4.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.513 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.9 ttm -58.74 -35.24 72.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.204 0.315 . . . . 0.0 110.96 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -56.1 -49.06 74.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.598 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -68.73 -36.98 79.11 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.773 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 14.6 t-105 -57.14 -48.44 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.757 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 50.1 mt -64.23 -51.18 64.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.247 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.92 -41.19 97.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.085 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -61.49 -43.65 98.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.874 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.63 -34.59 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.757 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.0 mmmm -66.7 -28.39 68.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.448 0.642 . . . . 0.0 110.325 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.536 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 4.4 ttmp? -74.85 -42.98 56.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.563 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -71.72 -25.47 62.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.065 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.563 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -29.39 125.72 0.12 Allowed 'General case' 0 C--O 1.234 0.281 0 O-C-N 124.616 1.197 . . . . 0.0 113.072 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -96.31 92.93 6.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.741 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -129.88 139.19 51.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 2.6 mp0 -50.28 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.567 0.542 . . . . 0.0 112.205 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -157.61 130.85 4.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.673 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.99 144.51 27.2 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.645 2.23 . . . . 0.0 111.907 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -118.57 46.33 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 0.0 110.102 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 73' ' ' ILE . 50.9 tptt -101.47 59.34 0.88 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.313 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.99 25.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.216 -173.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 71' ' ' LYS . 56.0 mt -84.68 -20.14 8.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 . . . . . 0 C--O 1.245 0.831 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.893 178.318 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.51 68.21 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -62.81 -47.81 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.511 -176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.68 -39.3 88.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.194 0.521 . . . . 0.0 110.276 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.4 tpt -67.55 -35.33 78.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.417 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' HG3' HD21 ' A' ' 57' ' ' LEU . 22.3 tt0 -56.83 -45.31 82.4 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.165 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.8 -38.1 86.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -61.56 -42.37 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.2 m-85 -71.76 -39.4 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 14' ' ' ILE . 75.9 ttt180 -59.27 -46.38 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.467 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.83 -43.24 85.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.272 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -71.15 -40.56 71.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.29 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.17 -45.87 86.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.551 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.6 mt -59.79 -38.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.34 -46.13 74.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 62.7 m-85 -76.12 -30.05 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.775 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -90.58 -16.26 29.07 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t 66.84 66.65 0.43 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.624 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m 55.31 52.11 11.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.309 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -142.83 162.46 35.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.098 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 5.4 p-10 -98.56 1.53 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.105 177.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.45 136.64 54.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp -113.67 134.91 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 111.372 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.16 140.69 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.169 173.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.55 -30.35 65.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.452 -176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.2 p90 -75.75 -30.19 59.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.583 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 mmtp -86.76 -32.59 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.436 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.508 ' O ' ' HG3' ' A' ' 32' ' ' MET . 62.5 t80 -58.25 -43.98 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.868 -177.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.5 -34.98 79.53 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.965 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.522 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 2.9 mm-40 -66.68 -37.02 83.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.538 0.685 . . . . 0.0 109.736 174.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 22.3 tp -61.15 -38.24 85.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.671 -1.15 . . . . 0.0 112.255 -175.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.12 -31.86 10.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.4 p30 -68.7 -25.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.964 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.92 -24.89 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.508 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.15 5.45 46.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.891 0.377 . . . . 0.0 111.004 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.68 7.29 75.41 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.896 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 80.5 mt -87.72 126.75 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -104.31 129.04 57.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.519 0.675 . . . . 0.0 111.455 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 5.5 tt -135.28 120.76 19.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -86.37 169.55 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 28.1 t-20 -55.12 -47.09 75.51 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.341 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.94 -37.61 80.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HB2' HD23 ' A' ' 39' ' ' LEU . 47.2 mt-10 -71.76 -47.34 54.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.617 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.48 -33.21 73.38 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.21 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 -1.34 57.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.473 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.617 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 22.5 mt -79.58 155.3 76.18 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.82 151.77 46.49 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.345 2.03 . . . . 0.0 111.891 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.67 -30.49 71.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.889 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.94 120.32 32.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.8 mt -98.81 118.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.337 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.2 t-20 -90.6 162.48 14.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.716 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.575 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.4 ttm -55.82 -36.81 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.661 0.267 . . . . 0.0 110.729 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.03 -38.3 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.209 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -66.63 -42.37 86.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 5.4 t-105 -59.43 -48.23 82.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.784 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 53' ' ' MET . 54.0 mt -62.68 -48.01 81.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 25.3 t-20 -62.21 -43.15 99.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.603 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.5 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 10.9 t80 -61.3 -45.69 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.471 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.59 72.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.531 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.631 ' HA ' ' CE2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.1 -23.82 64.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 -178.062 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -72.35 -26.29 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -77.78 -28.17 50.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.94 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CE2' ' HA ' ' A' ' 61' ' ' LYS . 15.0 m-85 -54.8 -43.51 72.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.497 0.665 . . . . 0.0 110.166 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -79.84 3.26 20.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.674 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 64' ' ' TYR . 8.6 m-85 46.84 55.27 8.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.94 -1.936 . . . . 0.0 112.706 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.09 -35.11 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.831 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -133.8 89.95 28.82 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.941 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.85 112.06 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.312 2.674 . . . . 0.0 112.368 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -101.11 19.0 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.028 -173.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.9 -30.33 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 66.3 m80 65.78 -79.83 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.798 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 160.43 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.683 -0.675 . . . . 0.0 109.586 174.743 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.54 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.609 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 33.2 t -64.54 -36.78 85.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.32 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 13.4 t70 -67.35 -39.84 85.78 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.247 0.546 . . . . 0.0 109.886 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.422 ' HG3' ' HH ' ' A' ' 64' ' ' TYR . 84.8 mmm -68.94 -40.19 79.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.83 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 3' ' ' SER . 11.0 pt-20 -64.11 -38.21 90.26 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -175.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 11.9 pt-20 -63.16 -36.68 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mmtp -65.98 -42.66 89.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.923 176.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.1 m-85 -61.08 -40.97 95.7 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.049 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.172 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.4 tt0 -63.28 -44.12 95.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.9 84.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.16 -47.18 84.16 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.19 -41.4 91.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.309 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -57.01 -40.37 76.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.501 . . . . 0.0 110.162 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -77.59 -19.57 55.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.678 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.766 ' HA ' ' CB ' ' A' ' 21' ' ' ASP . 67.7 m -108.05 12.87 26.53 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -47.67 -27.42 1.91 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.3 p -123.54 -144.29 0.33 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.808 0.731 . . . . 0.0 111.549 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -73.0 74.81 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.371 1.082 . . . . 0.0 109.247 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.766 ' CB ' ' HA ' ' A' ' 17' ' ' SER . 16.6 m-20 -107.52 21.51 17.36 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 113.74 -1.573 . . . . 0.0 114.568 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -76.68 126.46 31.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 51' ' ' ILE . 3.4 tt -100.71 128.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -141.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.1 166.99 16.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.559 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -40.49 63.08 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.212 0.32 . . . . 0.0 111.614 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -75.83 -33.44 60.06 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 111.376 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -84.63 -17.83 37.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.628 0.728 . . . . 0.0 110.123 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.67 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 76.5 t80 -79.42 -37.8 36.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 11.9 t80 -69.07 -33.29 73.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.077 -175.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.697 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.76 -31.66 72.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.46 -29.41 68.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.669 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.67 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.5 ptp -100.88 -30.16 11.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 6.0 p30 -64.81 -23.53 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.75 -178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -65.37 -28.9 69.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.491 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -92.37 -6.09 50.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.166 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.23 59.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.958 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 36.0 mm -70.46 135.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.653 0.264 . . . . 0.0 110.703 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.3 mt -95.95 115.87 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-O 121.09 0.472 . . . . 0.0 110.334 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 54.3 tp -135.4 119.92 18.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -88.88 169.8 11.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.74 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.63 -43.4 98.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.931 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.38 -37.26 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 44.3 mt-10 -68.38 -43.62 76.93 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 21.9 mtpp -56.91 -34.96 68.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.282 176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.45 61.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.92 -12.03 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 18.5 mt -78.01 153.19 80.06 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.17 148.45 91.24 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 111.38 176.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -62.78 -30.55 71.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.22 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -123.07 119.26 29.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 94.4 mt -105.54 138.79 29.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -120.66 -178.91 3.83 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.503 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 46.6 ttm -56.17 -33.45 65.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.68 -49.98 74.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.072 -176.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.401 ' HB3' HG22 ' A' ' 51' ' ' ILE . 69.7 t80 -75.36 -30.11 60.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.486 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.24 -48.77 77.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.837 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.709 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 32.4 mt -65.38 -49.5 69.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.18 0.514 . . . . 0.0 110.013 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.794 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 43.7 t80 -61.16 -43.66 98.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.31 99.76 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.686 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 29.2 mmtp -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.024 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.17 -49.73 70.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -28.13 58.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' HH ' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -45.7 -89.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.531 1.144 . . . . 0.0 113.799 -172.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.08 34.93 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.402 0.62 . . . . 0.0 110.359 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.484 ' HD1' ' O ' ' A' ' 61' ' ' LYS . 68.8 m-85 -125.67 143.47 51.02 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.974 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.76 -158.5 0.6 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.114 0.483 . . . . 0.0 110.261 -172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 48.87 69.72 2.53 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.84 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.44 55.22 5.57 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.766 2.31 . . . . 0.0 112.418 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 72' ' ' HIS . 7.1 p90 -81.91 -163.78 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.591 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 62.62 44.77 6.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 122.158 0.98 . . . . 0.0 109.466 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 70' ' ' PHE . 12.3 p-80 -124.11 -4.89 7.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.115 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.5 tt -164.16 -32.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.676 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.326 0.584 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.41 75.52 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.63 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -63.23 -37.89 89.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.052 0.453 . . . . 0.0 110.885 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 24.9 t70 -70.22 -43.06 71.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.136 0.493 . . . . 0.0 110.515 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.503 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 95.1 mmm -67.19 -33.26 75.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.098 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' HG3' HD13 ' A' ' 57' ' ' LEU . 32.1 tt0 -54.26 -44.84 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.01 -40.9 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.791 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 45.0 mmtm -66.71 -47.36 72.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.813 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 5' ' ' MET . 53.3 m-85 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.608 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 79.6 ttt180 -58.41 -46.8 85.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.155 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.5 tt0 -68.42 -44.18 75.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.33 -177.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.01 83.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -57.61 -45.25 85.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.8 mt -61.74 -43.64 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.86 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 86.0 mt -62.22 -42.62 99.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.47 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.13 -43.67 42.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -83.41 -19.75 35.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.44 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m 61.98 13.39 5.58 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.039 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.4 m -143.34 -148.4 0.24 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.41 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -155.8 -47.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.922 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.56 -18.03 42.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.707 -175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -144.52 150.16 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.713 0.292 . . . . 0.0 111.491 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 tt -139.85 138.3 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.698 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -59.69 134.86 57.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.0 mmt -61.61 -34.14 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.927 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -73.05 -35.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 110.553 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -80.67 -28.56 36.75 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 68.5 t80 -60.04 -41.23 91.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.771 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -68.38 -46.5 69.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.937 -175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.68 -29.15 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.148 0.499 . . . . 0.0 110.691 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.4 tm? -58.71 -39.01 79.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.131 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 15.3 ptp -86.59 -30.3 21.95 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.636 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 51.9 m-20 -59.1 -30.82 68.39 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.172 0.51 . . . . 0.0 109.751 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -64.38 -24.95 67.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.533 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.82 1.61 48.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.265 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.29 20.25 64.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.26 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.3 mt -87.9 131.15 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.696 0.284 . . . . 0.0 110.638 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.45 119.97 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB2' ' SD ' ' A' ' 32' ' ' MET . 56.4 tp -112.25 120.48 41.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -88.08 166.57 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.402 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.22 -33.96 77.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.34 -46.27 87.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.74 -37.87 87.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.443 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' HZ1' ' CD2' ' A' ' 39' ' ' LEU . 36.4 mttm -55.71 -40.62 72.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.725 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -15.42 63.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.074 0.464 . . . . 0.0 110.671 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.81 19.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.21 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 8.5 mt -75.99 136.76 69.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.92 153.82 48.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.746 2.297 . . . . 0.0 111.279 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.57 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.863 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.06 115.29 30.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.36 133.87 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.493 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.428 HD22 ' HB3' ' A' ' 54' ' ' ASP . 26.1 p-10 -125.81 -174.02 2.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.615 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 45.1 ttm -65.62 -40.42 92.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.437 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 52' ' ' ASN . 24.1 t70 -59.4 -47.83 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.358 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.75 -42.5 95.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.06 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -59.31 -48.26 82.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.223 0.535 . . . . 0.0 111.072 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 HD13 ' HG3' ' A' ' 6' ' ' GLU . 10.4 tp -58.92 -50.24 74.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.326 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.97 -40.16 95.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.003 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.57 -41.98 91.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 109.556 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -68.45 -46.38 69.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.157 -177.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HA ' ' CE1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -71.66 -24.59 61.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.416 0.627 . . . . 0.0 111.149 -178.332 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.06 -49.37 10.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.062 -176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 1.2 p80 -65.03 -29.73 70.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.249 -172.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -106.19 -174.14 2.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.871 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 60.3 51.61 5.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.935 0.874 . . . . 0.0 110.191 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -104.55 111.89 24.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.47 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.85 -31.26 56.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.435 0.636 . . . . 0.0 109.873 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.16 98.39 10.34 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.22 1.947 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -81.48 65.62 6.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 74' ' ' ASN . 32.2 mmtp -67.99 -65.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.798 -177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.9 m80 52.75 79.04 0.12 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.674 0.609 . . . . 0.0 110.851 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.6 mt 67.15 76.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.822 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 71' ' ' LYS . 3.0 t-20 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.937 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.6 t . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.886 0.374 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.36 -40.88 94.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 110.409 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.607 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.2 tpt -67.6 -35.79 79.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.172 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HG3' HD22 ' A' ' 57' ' ' LEU . 20.0 tt0 -57.25 -39.94 76.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.124 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 3' ' ' SER . 29.8 mm-40 -57.02 -43.77 82.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -66.53 -37.97 86.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.112 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.6 m-85 -65.57 -40.19 92.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.178 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.599 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 44.4 ttm105 -64.1 -45.25 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.958 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 39.1 tt0 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -67.38 -38.05 84.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 34.7 t80 -57.08 -48.91 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.742 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.66 -36.87 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.375 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 91.2 mt -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.664 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HD2' ' O ' ' A' ' 12' ' ' ALA . 29.0 m-85 -76.08 -42.35 47.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.96 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.328 -0.329 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.974 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 21.3 tt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.05 0.452 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.21 143.26 58.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.503 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.2 -32.05 73.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.265 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -76.32 -30.99 57.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.539 0.685 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HD3' ' CD ' ' A' ' 30' ' ' GLU . 17.7 tppt? -85.48 -7.99 58.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.846 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.7 t80 -79.46 -44.45 21.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.959 -1.019 . . . . 0.0 112.575 -174.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 26.7 t80 -68.26 -36.2 79.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.704 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 12.8 pt-20 -66.08 -30.39 70.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.628 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.1 tp -60.63 -34.82 74.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.949 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.655 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 63.0 mtm -88.8 -33.52 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.546 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -67.45 -22.84 65.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -64.61 -29.36 70.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.207 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -97.61 -9.71 26.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.65 58.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.318 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.82 126.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.702 0.286 . . . . 0.0 110.314 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.11 142.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.601 . . . . 0.0 111.633 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.85 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -104.31 123.7 47.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.802 -178.255 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 p -86.5 163.8 17.31 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.947 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.91 -43.89 86.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.745 0.307 . . . . 0.0 110.82 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.61 -40.37 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 37.9 mt-10 -70.67 -43.89 68.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.827 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.85 ' HG2' HD13 ' A' ' 39' ' ' LEU . 17.5 mtpp -56.66 -36.01 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 111.234 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.13 -14.37 61.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.79 -19.4 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 39' ' ' LEU . 10.3 mt -74.04 137.44 75.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.92 147.82 94.37 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.866 2.377 . . . . 0.0 111.235 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.07 -22.94 67.14 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -115.24 116.7 28.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -106.46 130.44 58.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -109.42 -175.13 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.187 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.681 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 38.2 tpp -60.97 -45.67 93.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.993 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.04 -42.26 98.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.722 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.64 -41.63 96.0 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.735 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.655 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 8.3 t-105 -57.96 -49.04 78.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.811 176.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 62.9 mt -58.95 -49.37 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.855 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.2 -46.24 78.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.887 0.742 . . . . 0.0 111.104 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -60.86 -38.68 86.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.28 0.562 . . . . 0.0 109.551 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.6 -27.88 66.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.431 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 1.2 mmpm? -67.29 -37.48 83.49 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.588 0.708 . . . . 0.0 109.514 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 62' ' ' LYS . 34.5 ttpt -72.4 -47.74 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.543 -175.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 110.248 178.648 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 20.1 t70 -67.65 -43.11 81.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.104 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.582 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.0 tpt -63.64 -36.88 85.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.513 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 57' ' ' LEU . 26.4 tt0 -60.92 -40.66 94.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.742 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 3' ' ' SER . 51.0 mm-40 -56.65 -48.43 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.221 0.534 . . . . 0.0 110.251 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 1.1 mptm? -59.57 -45.29 92.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.222 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 23.4 m-85 -62.19 -42.55 99.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.936 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.613 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 43.7 ttm105 -60.34 -46.83 88.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.165 0.507 . . . . 0.0 110.957 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.58 -45.31 90.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.351 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.41 78.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.384 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -57.75 -46.93 83.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.051 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.92 -36.33 66.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.368 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -57.78 -45.72 85.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.805 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -76.96 -30.16 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.137 -174.607 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 tt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.946 0.879 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.07 147.68 46.54 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.357 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.523 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 26.3 mmt -55.34 -29.77 58.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.937 -174.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.633 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 30.1 p90 -73.3 -34.87 65.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.063 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 49.0 mmtt -86.13 -22.14 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.332 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' MET . 63.0 t80 -67.61 -45.02 76.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.963 -176.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 32' ' ' MET . 13.4 t80 -69.48 -39.68 77.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.022 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.03 -30.53 71.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 32.1 tp -60.65 -34.44 74.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.609 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 65.1 mtm -89.1 -34.67 16.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -67.9 -21.46 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.8 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.1 m -66.28 -34.27 77.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -91.51 -1.89 57.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.18 21.64 62.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.53 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 92.9 mt -88.75 125.88 41.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 pt -105.98 144.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 0.0 110.651 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 47' ' ' LEU . 1.9 tt -135.94 121.05 18.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -80.15 162.75 24.56 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.458 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.38 -38.41 91.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.653 0.263 . . . . 0.0 110.84 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.67 -40.53 97.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.02 -38.52 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.738 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.601 ' HG3' HD22 ' A' ' 39' ' ' LEU . 23.1 mtpp -56.71 -38.1 71.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 111.444 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.83 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.839 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.57 -6.95 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 39' ' ' LEU . 21.5 mt -78.53 153.08 78.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.162 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.72 147.51 87.6 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.91 2.407 . . . . 0.0 111.918 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -66.27 -24.6 66.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.091 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -127.08 119.25 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -105.22 127.47 59.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.3 -179.27 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.613 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 50.1 ttm -56.52 -33.59 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.549 0.214 . . . . 0.0 111.313 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.68 -50.16 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -75.06 -30.32 60.96 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.619 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.609 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 11.2 t-105 -57.83 -48.99 78.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.794 0.33 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.814 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 43.5 mt -65.03 -49.86 68.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.522 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -54.57 -48.85 71.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.242 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.0 97.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -61.71 -42.76 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.693 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 12.8 mmmm -69.27 -29.48 67.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.569 0.7 . . . . 0.0 110.223 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -81.87 -48.37 11.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.368 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 -174.294 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 36.5 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.547 0.213 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.52 -45.5 62.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.202 0.525 . . . . 0.0 109.698 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.649 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG3' HD22 ' A' ' 57' ' ' LEU . 35.1 tt0 -56.63 -40.92 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.291 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 3' ' ' SER . 51.3 mt-10 -66.29 -38.61 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.549 . . . . 0.0 110.145 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.42 -44.17 83.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.312 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -62.21 -34.15 75.93 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.405 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 71.8 ttt180 -57.72 -47.45 82.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.483 . . . . 0.0 110.26 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 36.4 tt0 -69.81 -44.52 69.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.064 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.8 90.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.444 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 57.7 t80 -58.07 -44.85 87.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.75 -36.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.983 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 83.0 mt -60.54 -47.13 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.336 . . . . 0.0 110.838 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -77.23 -30.32 54.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -177.341 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 19.9 tt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.292 0.568 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.16 136.21 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.379 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.02 69.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.921 -173.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.462 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.3 p90 -72.79 -30.67 64.28 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.419 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 35.6 mmtt -86.29 -16.82 36.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.4 t80 -69.25 -45.15 70.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.434 -172.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -69.84 -44.05 70.7 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.89 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 11.1 pt-20 -64.26 -30.8 71.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.627 176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.8 tm? -60.07 -39.59 86.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.441 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.482 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 13.8 ptp -89.07 -31.26 18.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -21.65 65.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.082 -0.647 . . . . 0.0 109.697 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.9 t -64.09 -25.0 67.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -97.54 8.14 45.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.59 7.26 88.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.571 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.3 mt -86.65 134.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 110.332 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 pt -108.09 150.05 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 0.0 111.405 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -123.25 123.7 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.871 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.5 p -88.94 163.18 15.7 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.859 -0.737 . . . . 0.0 111.872 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.81 -42.74 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.14 -41.23 87.78 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.047 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.42 -49.08 52.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.614 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.824 ' HG2' HD13 ' A' ' 39' ' ' LEU . 25.3 mtpp -56.57 -39.66 73.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 111.569 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.24 -15.1 63.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.26 0.81 18.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.892 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 39' ' ' LEU . 20.3 mt -84.19 147.95 51.9 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.15 143.64 96.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.619 2.212 . . . . 0.0 111.503 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.81 -32.02 73.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.627 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -115.02 116.51 28.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.03 127.43 61.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.85 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -99.08 167.72 10.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.435 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.547 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.7 ttm -55.21 -34.39 63.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.579 0.228 . . . . 0.0 111.374 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.32 -42.66 82.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.565 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.06 -34.61 73.42 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.422 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -59.0 -48.7 80.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.412 . . . . 0.0 110.441 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 53' ' ' MET . 40.0 mt -58.82 -48.12 82.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.885 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.92 -44.75 95.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.785 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -62.67 -45.9 90.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.368 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.74 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -23.54 63.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -70.35 -31.42 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.098 -179.38 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.018 0.437 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 32.2 t70 -73.07 -35.72 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 109.964 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.3 tpt -67.01 -41.26 86.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.633 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 11.7 pt-20 -63.82 -36.5 84.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.995 0.426 . . . . 0.0 110.491 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.88 -36.74 84.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 4' ' ' ASP . 54.7 mtpt -60.24 -38.84 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.581 0.229 . . . . 0.0 110.484 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 23.6 m-85 -62.08 -43.55 98.58 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 14' ' ' ILE . 55.2 ttt180 -60.7 -46.71 89.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.54 -43.83 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.371 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.47 70.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.77 -41.17 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.514 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 10' ' ' ARG . 81.8 mt -60.11 -36.5 68.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.0 110.432 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.64 -47.62 77.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.79 -44.95 30.72 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -168.404 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 27' ' ' LYS . 10.3 tt . . . . . 0 N--CA 1.438 -1.058 0 CA-C-O 122.308 1.051 . . . . 0.0 113.413 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.4 162.26 27.37 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.526 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.86 -32.01 71.45 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.86 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -72.77 -39.03 67.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.575 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' O ' HD11 ' A' ' 23' ' ' ILE . 4.1 tmtm? -83.51 -12.29 56.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.131 0.967 . . . . 0.0 109.44 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 48.3 t80 -79.11 -33.54 44.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.588 -175.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 39' ' ' LEU . 3.4 t80 -70.01 -33.92 72.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.388 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.62 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 7.2 pt-20 -66.1 -30.12 70.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.629 177.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 49.4 tp -63.1 -38.2 90.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 173.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptp -91.98 -31.17 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.62 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 1.1 p-10 -67.14 -22.97 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.257 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -66.3 -24.8 66.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.828 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -97.56 -8.32 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.999 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.09 19.97 60.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.466 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.84 137.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.6 pt -110.24 150.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.983 0.42 . . . . 0.0 110.734 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.891 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -121.6 129.47 52.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.115 -175.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -91.05 162.39 14.72 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.196 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.47 -42.44 92.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.661 0.267 . . . . 0.0 111.044 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -59.86 -40.8 89.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.6 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.53 -47.01 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.891 ' HG2' HD13 ' A' ' 39' ' ' LEU . 27.8 mtpp -56.56 -41.5 76.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.477 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -15.29 63.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.929 0.395 . . . . 0.0 111.227 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.19 29.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 39' ' ' LEU . 12.6 mt -88.18 147.7 41.03 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.747 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.71 161.22 39.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.996 2.464 . . . . 0.0 111.568 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.34 -24.39 62.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 8.0 p-10 -132.21 119.66 21.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 1.9 mp -83.88 130.73 35.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.673 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -103.6 -179.63 4.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.6 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.552 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 37.5 ttm -64.33 -44.31 91.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.662 -174.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -60.05 -38.24 82.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.887 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' HE1' HD22 ' A' ' 47' ' ' LEU . 25.9 t80 -75.28 -42.15 55.58 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.508 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -57.15 -48.54 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.558 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 53' ' ' MET . 30.1 mt -64.74 -50.64 66.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.988 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -62.37 -39.7 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.902 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.39 -42.9 96.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.551 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.73 77.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.3 mmmt -68.13 -24.39 65.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 122.025 0.917 . . . . 0.0 110.248 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.01 -31.46 70.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.506 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.777 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 46.9 t . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 120.676 0.274 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.97 -31.26 66.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.508 0.67 . . . . 0.0 110.223 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 13.6 tpt -69.33 -43.23 74.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.571 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.614 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 12.3 pt-20 -63.85 -37.9 89.1 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.21 -36.01 78.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.259 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.2 -35.93 81.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.774 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.8 m-85 -66.84 -41.14 87.88 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 62.5 ttt180 -57.75 -46.09 84.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.702 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.13 -44.33 76.33 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.86 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.59 86.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.676 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.92 -42.71 85.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.261 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -63.88 -43.46 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.921 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.09 -47.27 83.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.744 0.307 . . . . 0.0 111.464 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.74 -36.19 75.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.668 0.271 . . . . 0.0 110.747 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.28 0.562 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.8 142.3 56.24 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.307 175.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.98 -31.4 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.036 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -75.92 -41.23 52.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.172 0.51 . . . . 0.0 110.221 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -79.58 -23.87 42.43 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 121.855 0.836 . . . . 0.0 109.674 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' HG3' ' A' ' 32' ' ' MET . 49.3 t80 -68.25 -39.78 82.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.461 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.614 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.705 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.1 pt-20 -67.04 -32.29 73.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.902 0.382 . . . . 0.0 110.398 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.3 tp -61.79 -38.31 87.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.318 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.3 -30.09 11.69 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.636 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.705 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.9 p30 -67.22 -25.06 65.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.753 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -67.22 -27.99 67.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.685 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -87.45 1.2 54.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.02 72.11 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -75.88 129.2 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.9 mt -95.51 115.33 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 47' ' ' LEU . 3.1 tt -133.42 120.42 20.89 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -90.09 169.42 11.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.17 -36.73 84.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 110.16 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.48 -40.11 85.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.585 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -39.24 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.743 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 29.0 mmmt -55.97 -34.79 66.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.645 0.26 . . . . 0.0 111.525 174.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.041 0.448 . . . . 0.0 110.794 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.53 -18.97 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 39' ' ' LEU . 1.5 mt -69.4 126.89 92.97 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.606 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 149.0 81.4 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.757 2.305 . . . . 0.0 111.649 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -64.0 -25.98 68.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.871 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -114.49 115.5 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 170.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -105.58 120.81 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.357 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -109.16 -178.25 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.653 0.263 . . . . 0.0 111.609 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 44.9 tpp -56.61 -44.98 81.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.743 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.22 -46.09 75.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.762 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -71.41 -41.03 70.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.239 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 10.0 t-105 -57.41 -49.08 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.43 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.1 mt -63.88 -49.23 73.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.059 0.457 . . . . 0.0 110.35 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.26 -40.47 90.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.833 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.86 -45.67 92.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.002 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -44.95 72.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -71.3 -23.12 61.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.821 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 6.4 ttpm? -74.03 -22.23 59.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.253 0.549 . . . . 0.0 110.845 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.463 177.001 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 12.1 p . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.167 0.508 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.77 -38.66 70.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.024 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.5 tpt -68.55 -39.05 81.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.716 -177.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 3' ' ' SER . 12.2 pt-20 -59.38 -37.64 78.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.529 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 -37.59 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.638 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.39 -33.95 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.694 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 68.8 m-85 -72.37 -38.0 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.986 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 75.8 ttt180 -57.95 -46.1 85.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.231 0.539 . . . . 0.0 110.199 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.5 tt0 -59.07 -43.69 91.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.648 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' O ' ' HD1' ' A' ' 16' ' ' PHE . . . -67.36 -39.64 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -57.75 -41.65 82.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.905 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -60.91 -43.6 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.983 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 11' ' ' GLU . 4.4 mm? -67.22 -47.81 69.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.666 0.269 . . . . 0.0 111.696 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' HD1' ' O ' ' A' ' 12' ' ' ALA . 45.0 m-85 -71.33 -35.89 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.912 178.452 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 121.359 0.6 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -58.52 138.61 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.049 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 49' ' ' ASN . 97.5 mtp -63.83 -28.69 70.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.837 -175.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -70.15 -31.59 69.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.06 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -85.18 -25.27 27.5 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.926 0.87 . . . . 0.0 109.755 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE1' ' HG2' ' A' ' 32' ' ' MET . 80.3 t80 -56.12 -44.59 79.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.953 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -63.0 -39.66 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.712 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.4 pt-20 -66.8 -32.4 73.66 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.533 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.2 tp -63.26 -36.62 84.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.719 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 3.6 ppp? -102.07 -31.49 10.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -170.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.712 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.0 p30 -68.12 -23.93 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.846 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -62.42 -32.54 73.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.983 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.99 -1.33 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.046 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.07 13.38 62.19 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.051 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.71 132.55 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.94 0.4 . . . . 0.0 110.269 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 pt -114.76 151.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 44' ' ' LYS . 8.8 mt -122.37 144.06 49.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 15.6 p -91.18 167.42 12.35 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 175.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -58.18 -46.99 84.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.99 0.424 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.421 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.87 -46.98 87.04 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.58 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HG2' HD13 ' A' ' 39' ' ' LEU . 21.5 mtpp -56.89 -42.71 80.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.326 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.61 -18.21 61.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.53 -8.29 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.56 144.75 74.27 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.89 140.97 97.55 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.252 1.968 . . . . 0.0 110.704 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 49.1 m-80 -63.95 -26.76 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -114.27 116.4 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 170.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.6 mt -104.97 129.33 57.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -108.72 171.76 7.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.035 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 30.8 tpp -55.82 -37.72 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.097 0.475 . . . . 0.0 110.47 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.83 -49.33 75.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.443 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -70.81 -34.28 71.57 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.382 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.482 ' NE1' ' HB3' ' A' ' 9' ' ' PHE . 9.2 t-105 -57.35 -48.94 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 111.624 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.9 mt -63.14 -47.05 84.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 0.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 44.7 t-20 -63.53 -42.08 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.117 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 39' ' ' LEU . 16.8 t80 -61.27 -46.4 90.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.337 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.876 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -70.06 -22.94 63.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.918 -178.153 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -73.42 -34.1 65.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.088 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.4 m80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -179.064 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 18.6 t . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.884 0.373 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 14.6 t70 -66.45 -35.38 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.282 0.563 . . . . 0.0 110.094 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.9 tpt -64.46 -41.81 96.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.169 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG3' HD22 ' A' ' 57' ' ' LEU . 25.3 tt0 -60.55 -39.51 88.18 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 17.2 mm-40 -58.08 -49.45 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 75.1 mmtt -60.84 -41.79 96.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.277 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.1 m-85 -59.37 -37.29 77.53 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.659 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 41.6 ttp-105 -63.5 -47.55 81.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 19.8 mt-10 -63.79 -43.75 95.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.152 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.1 86.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.24 -45.91 91.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.47 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 10' ' ' ARG . 87.6 mt -59.9 -40.24 82.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.023 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -56.8 -48.08 78.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.774 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -77.04 -35.28 56.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.514 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.534 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.62 149.51 42.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.76 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.81 -29.17 59.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.498 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -76.36 -35.26 58.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.241 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -83.06 -33.34 26.45 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.88 0.848 . . . . 0.0 109.711 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' ' HG3' ' A' ' 32' ' ' MET . 56.7 t80 -62.76 -44.82 95.2 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.477 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.956 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.0 pt-20 -66.67 -31.77 72.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.7 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 16.4 tp -63.04 -39.82 95.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.096 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -98.26 -29.36 13.23 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.203 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.696 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.8 p30 -66.02 -25.06 66.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.207 176.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -66.27 -24.94 66.65 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.31 5.62 48.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.55 12.13 83.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.237 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -81.68 128.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.677 0.275 . . . . 0.0 110.323 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 pt -97.12 130.74 45.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.258 0.551 . . . . 0.0 111.145 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 47' ' ' LEU . 4.7 tt -136.25 119.57 16.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.044 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 16.7 p -90.47 171.23 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.92 -40.36 88.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.663 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.7 -45.59 91.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.03 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.55 -37.31 85.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.63 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.729 ' HA ' HD13 ' A' ' 47' ' ' LEU . 28.5 mtpp -54.47 -29.85 51.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.57 0.348 . . . . 0.0 110.916 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.29 -14.27 47.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.48 -20.89 19.27 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.963 0.887 . . . . 0.0 108.96 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' ' 44' ' ' LYS . 5.0 mp -68.99 130.45 91.48 Favored Pre-proline 0 N--CA 1.436 -1.127 0 CA-C-N 113.86 -1.518 . . . . 0.0 109.913 170.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.07 163.13 29.87 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.179 1.92 . . . . 0.0 110.894 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.44 -29.85 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.71 117.17 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -103.62 124.83 58.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.85 0.357 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.57 177.39 4.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.9 ttm -58.74 -35.24 72.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.204 0.315 . . . . 0.0 110.96 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -56.1 -49.06 74.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.598 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -68.73 -36.98 79.11 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.773 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 14.6 t-105 -57.14 -48.44 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.77 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 50.1 mt -64.23 -51.18 64.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.247 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.92 -41.19 97.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.085 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 17.6 t80 -61.49 -43.65 98.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.874 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.63 -34.59 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.0 mmmm -66.7 -28.39 68.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.448 0.642 . . . . 0.0 110.325 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -74.85 -42.98 56.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.563 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.065 179.835 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.668 0.271 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.68 -39.3 88.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.194 0.521 . . . . 0.0 110.276 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.4 tpt -67.55 -35.33 78.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.417 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.553 ' HG3' HD22 ' A' ' 57' ' ' LEU . 22.3 tt0 -56.83 -45.31 82.4 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.165 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.8 -38.1 86.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -61.56 -42.37 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.2 m-85 -71.76 -39.4 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 75.9 ttt180 -59.27 -46.38 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.467 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.83 -43.24 85.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.272 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -71.15 -40.56 71.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.29 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.17 -45.87 86.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.551 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.6 mt -59.79 -38.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.34 -46.13 74.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 62.7 m-85 -76.12 -30.05 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.775 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -176.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.16 140.69 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.169 173.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.55 -30.35 65.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.452 -176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.2 p90 -75.75 -30.19 59.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.583 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 mmtp -86.76 -32.59 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.436 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 32' ' ' MET . 62.5 t80 -58.25 -43.98 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.868 -177.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.5 -34.98 79.53 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.965 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.529 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 2.9 mm-40 -66.68 -37.02 83.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.538 0.685 . . . . 0.0 109.736 174.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 22.3 tp -61.15 -38.24 85.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.671 -1.15 . . . . 0.0 112.255 -175.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.12 -31.86 10.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.4 p30 -68.7 -25.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.964 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.92 -24.89 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.508 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.15 5.45 46.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.891 0.377 . . . . 0.0 111.004 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.68 7.29 75.41 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.896 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 80.5 mt -87.72 126.75 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -104.31 129.04 57.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.519 0.675 . . . . 0.0 111.455 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 5.5 tt -135.28 120.76 19.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -86.37 169.55 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 28.1 t-20 -55.12 -47.09 75.51 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.341 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.94 -37.61 80.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 39' ' ' LEU . 47.2 mt-10 -71.76 -47.34 54.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.48 -33.21 73.38 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.21 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 -1.34 57.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.473 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 22.5 mt -79.58 155.3 76.18 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.82 151.77 46.49 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.345 2.03 . . . . 0.0 111.891 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.67 -30.49 71.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.889 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.94 120.32 32.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.8 mt -98.81 118.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.337 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -90.6 162.48 14.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.716 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.582 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.4 ttm -55.82 -36.81 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.661 0.267 . . . . 0.0 110.729 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.03 -38.3 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.209 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -66.63 -42.37 86.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 5.4 t-105 -59.43 -48.23 82.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.784 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 53' ' ' MET . 54.0 mt -62.68 -48.01 81.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 25.3 t-20 -62.21 -43.15 99.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.603 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 10.9 t80 -61.3 -45.69 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.471 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.59 72.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.531 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -69.1 -23.82 64.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 -178.062 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -72.35 -26.29 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.94 179.456 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 33.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.957 0.408 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 13.4 t70 -67.35 -39.84 85.78 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.247 0.546 . . . . 0.0 109.886 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.8 mmm -68.94 -40.19 79.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.83 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 3' ' ' SER . 11.0 pt-20 -64.11 -38.21 90.26 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -175.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 11.9 pt-20 -63.16 -36.68 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mmtp -65.98 -42.66 89.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.923 176.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.1 m-85 -61.08 -40.97 95.7 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.049 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.172 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.4 tt0 -63.28 -44.12 95.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.9 84.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.16 -47.18 84.16 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.19 -41.4 91.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.309 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -57.01 -40.37 76.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.501 . . . . 0.0 110.162 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -77.59 -19.57 55.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.678 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.119 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 51' ' ' ILE . 3.4 tt . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.1 166.99 16.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.559 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -40.49 63.08 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.212 0.32 . . . . 0.0 111.614 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -75.83 -33.44 60.06 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 111.376 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -84.63 -17.83 37.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.628 0.728 . . . . 0.0 110.123 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 76.5 t80 -79.42 -37.8 36.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 11.9 t80 -69.07 -33.29 73.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.077 -175.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.76 -31.66 72.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.46 -29.41 68.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.669 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.5 ptp -100.88 -30.16 11.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.554 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.81 -23.53 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.75 -178.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -65.37 -28.9 69.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.491 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -92.37 -6.09 50.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.166 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.23 59.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.958 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 36.0 mm -70.46 135.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.653 0.264 . . . . 0.0 110.703 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.3 mt -95.95 115.87 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-O 121.09 0.472 . . . . 0.0 110.334 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 44' ' ' LYS . 54.3 tp -135.4 119.92 18.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -88.88 169.8 11.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.74 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.63 -43.4 98.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.931 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.38 -37.26 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 44.3 mt-10 -68.38 -43.62 76.93 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.627 ' HG2' HD21 ' A' ' 39' ' ' LEU . 21.9 mtpp -56.91 -34.96 68.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.282 176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.45 61.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.92 -12.03 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 18.5 mt -78.01 153.19 80.06 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.17 148.45 91.24 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 111.38 176.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -62.78 -30.55 71.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.22 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -123.07 119.26 29.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 94.4 mt -105.54 138.79 29.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -120.66 -178.91 3.83 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.511 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 46.6 ttm -56.17 -33.45 65.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.68 -49.98 74.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.072 -176.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 69.7 t80 -75.36 -30.11 60.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.486 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.24 -48.77 77.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.837 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.716 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 32.4 mt -65.38 -49.5 69.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.18 0.514 . . . . 0.0 110.013 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.794 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 43.7 t80 -61.16 -43.66 98.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.31 99.76 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.686 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 29.2 mmtp -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.024 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.17 -49.73 70.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.848 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.052 0.453 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 24.9 t70 -70.22 -43.06 71.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.136 0.493 . . . . 0.0 110.515 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 95.1 mmm -67.19 -33.26 75.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.098 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.522 ' HG3' HD11 ' A' ' 57' ' ' LEU . 32.1 tt0 -54.26 -44.84 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.01 -40.9 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.791 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 45.0 mmtm -66.71 -47.36 72.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.813 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 5' ' ' MET . 53.3 m-85 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.608 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.621 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 79.6 ttt180 -58.41 -46.8 85.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.155 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.5 tt0 -68.42 -44.18 75.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.33 -177.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.01 83.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -57.61 -45.25 85.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.8 mt -61.74 -43.64 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.86 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 86.0 mt -62.22 -42.62 99.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.47 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.13 -43.67 42.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.326 -0.437 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.44 -174.171 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -59.69 134.86 57.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.0 mmt -61.61 -34.14 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.927 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -73.05 -35.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 110.553 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -80.67 -28.56 36.75 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 68.5 t80 -60.04 -41.23 91.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.771 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' MET . 31.8 t80 -68.38 -46.5 69.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.937 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.68 -29.15 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.148 0.499 . . . . 0.0 110.691 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.4 tm? -58.71 -39.01 79.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.131 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.658 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 15.3 ptp -86.59 -30.3 21.95 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 10.3 m120 -59.1 -30.82 68.39 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.172 0.51 . . . . 0.0 109.751 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -64.38 -24.95 67.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.533 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.82 1.61 48.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.265 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.29 20.25 64.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.26 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.468 HG12 ' CE1' ' A' ' 63' ' ' HIS . 94.3 mt -87.9 131.15 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.696 0.284 . . . . 0.0 110.638 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.45 119.97 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HB2' ' SD ' ' A' ' 32' ' ' MET . 56.4 tp -112.25 120.48 41.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -88.08 166.57 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.402 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.22 -33.96 77.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.34 -46.27 87.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.74 -37.87 87.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.443 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HZ3' ' CD2' ' A' ' 39' ' ' LEU . 36.4 mttm -55.71 -40.62 72.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.725 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -15.42 63.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.074 0.464 . . . . 0.0 110.671 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.81 19.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.21 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 8.5 mt -75.99 136.76 69.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.92 153.82 48.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.746 2.297 . . . . 0.0 111.279 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -63.57 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.863 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.06 115.29 30.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.36 133.87 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.493 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 54' ' ' ASP . 26.1 p-10 -125.81 -174.02 2.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.621 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 45.1 ttm -65.62 -40.42 92.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.437 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.489 ' HB3' HD21 ' A' ' 52' ' ' ASN . 24.1 t70 -59.4 -47.83 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.358 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.75 -42.5 95.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.06 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -59.31 -48.26 82.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.223 0.535 . . . . 0.0 111.072 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD11 ' HG3' ' A' ' 6' ' ' GLU . 10.4 tp -58.92 -50.24 74.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.326 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.97 -40.16 95.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.003 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.57 -41.98 91.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 109.556 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' A' ' 9' ' ' PHE . . . -68.45 -46.38 69.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.157 -177.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -24.59 61.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.416 0.627 . . . . 0.0 111.149 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.06 -49.37 10.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.062 -176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 37' ' ' ILE . 3.5 p-80 . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.249 -172.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptm . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.63 80.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.6 t -60.55 -41.25 94.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.144 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.36 -40.88 94.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 110.409 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.607 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.2 tpt -67.6 -35.79 79.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.172 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HG3' HD22 ' A' ' 57' ' ' LEU . 20.0 tt0 -57.25 -39.94 76.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.124 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 3' ' ' SER . 29.8 mm-40 -57.02 -43.77 82.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -66.53 -37.97 86.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.112 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.6 m-85 -65.57 -40.19 92.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.178 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.599 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 44.4 ttm105 -64.1 -45.25 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.958 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 39.1 tt0 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -67.38 -38.05 84.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 34.7 t80 -57.08 -48.91 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.742 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.66 -36.87 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.375 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 91.2 mt -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.664 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HD2' ' O ' ' A' ' 12' ' ' ALA . 29.0 m-85 -76.08 -42.35 47.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.96 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 19' ' ' CYS . 79.9 p -80.39 -17.6 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.974 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 p 69.04 -28.81 0.16 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.976 1.31 . . . . 0.0 112.339 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' H ' ' C ' ' A' ' 17' ' ' SER . 14.5 t -164.98 173.09 11.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.4 p 60.72 177.26 0.1 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.061 0.944 . . . . 0.0 111.877 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.39 6.67 37.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.624 0.726 . . . . 0.0 109.951 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -114.28 145.56 41.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.103 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 21.3 tt -116.82 138.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.05 0.452 . . . . 0.0 110.81 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.21 143.26 58.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.503 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.2 -32.05 73.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.265 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -76.32 -30.99 57.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.539 0.685 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HD3' ' CD ' ' A' ' 30' ' ' GLU . 17.7 tppt? -85.48 -7.99 58.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.846 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.7 t80 -79.46 -44.45 21.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.959 -1.019 . . . . 0.0 112.575 -174.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 26.7 t80 -68.26 -36.2 79.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.704 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 12.8 pt-20 -66.08 -30.39 70.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.628 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.1 tp -60.63 -34.82 74.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.949 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.655 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 63.0 mtm -88.8 -33.52 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.546 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -67.45 -22.84 65.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -64.61 -29.36 70.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.207 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -97.61 -9.71 26.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.65 58.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.318 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.82 126.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.702 0.286 . . . . 0.0 110.314 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.11 142.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.601 . . . . 0.0 111.633 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.85 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -104.31 123.7 47.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.802 -178.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 p -86.5 163.8 17.31 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.947 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.91 -43.89 86.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.745 0.307 . . . . 0.0 110.82 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.61 -40.37 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 37.9 mt-10 -70.67 -43.89 68.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.827 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.85 ' HG2' HD13 ' A' ' 39' ' ' LEU . 17.5 mtpp -56.66 -36.01 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 111.234 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.13 -14.37 61.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.79 -19.4 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 39' ' ' LEU . 10.3 mt -74.04 137.44 75.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.92 147.82 94.37 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.866 2.377 . . . . 0.0 111.235 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.07 -22.94 67.14 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -115.24 116.7 28.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -106.46 130.44 58.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -109.42 -175.13 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.187 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.681 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 38.2 tpp -60.97 -45.67 93.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.993 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.04 -42.26 98.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.722 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.64 -41.63 96.0 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.735 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.655 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 8.3 t-105 -57.96 -49.04 78.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.811 176.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 62.9 mt -58.95 -49.37 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.855 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.2 -46.24 78.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.887 0.742 . . . . 0.0 111.104 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -60.86 -38.68 86.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.28 0.562 . . . . 0.0 109.551 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.6 -27.88 66.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.431 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 1.2 mmpm? -67.29 -37.48 83.49 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.588 0.708 . . . . 0.0 109.514 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 62' ' ' LYS . 34.5 ttpt -72.4 -47.74 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.543 -175.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -76.38 -33.43 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 110.248 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 0.3 OUTLIER 37.94 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.161 -1.382 . . . . 0.0 112.062 -166.52 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' H ' ' HB3' ' A' ' 64' ' ' TYR . 13.9 t-20 -167.32 32.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.99 0.9 . . . . 0.0 109.021 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -123.68 17.27 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.165 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -56.08 -48.58 75.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.082 0.468 . . . . 0.0 110.053 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -169.66 90.3 0.55 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.29 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.06 130.57 40.98 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.648 2.232 . . . . 0.0 111.576 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 60.22 50.41 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.519 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' A' ' 74' ' ' ASN . 3.1 tmtm? -73.96 108.96 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -104.58 165.11 11.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.841 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 14.1 tt 45.25 47.31 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 112.743 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' HE3' ' A' ' 71' ' ' LYS . 46.7 t30 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.913 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.03 0.443 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.481 ' HB1' ' HE3' ' A' ' 61' ' ' LYS . . . -64.61 -43.55 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.398 -173.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t -63.9 -35.86 82.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.709 0.29 . . . . 0.0 110.599 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 20.1 t70 -67.65 -43.11 81.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.104 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.582 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.0 tpt -63.64 -36.88 85.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.513 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 57' ' ' LEU . 26.4 tt0 -60.92 -40.66 94.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.742 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 3' ' ' SER . 51.0 mm-40 -56.65 -48.43 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.221 0.534 . . . . 0.0 110.251 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 1.1 mptm? -59.57 -45.29 92.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.222 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 23.4 m-85 -62.19 -42.55 99.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.936 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.613 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 43.7 ttm105 -60.34 -46.83 88.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.165 0.507 . . . . 0.0 110.957 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.58 -45.31 90.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.351 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.41 78.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.384 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -57.75 -46.93 83.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.051 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.92 -36.33 66.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.368 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -57.78 -45.72 85.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.805 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -76.96 -30.16 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -92.03 10.78 27.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.137 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -22.43 34.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.591 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.06 -65.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.462 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 p -111.89 136.09 51.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -76.62 -19.25 58.02 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.901 0.382 . . . . 0.0 110.604 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -101.72 138.34 38.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 167.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 tt -100.13 126.26 53.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.946 0.879 . . . . 0.0 111.708 -170.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.07 147.68 46.54 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.357 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.523 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 26.3 mmt -55.34 -29.77 58.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.937 -174.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.633 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 30.1 p90 -73.3 -34.87 65.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.063 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 49.0 mmtt -86.13 -22.14 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.332 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' MET . 63.0 t80 -67.61 -45.02 76.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.963 -176.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 32' ' ' MET . 13.4 t80 -69.48 -39.68 77.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.022 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.03 -30.53 71.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 32.1 tp -60.65 -34.44 74.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.609 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 65.1 mtm -89.1 -34.67 16.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -67.9 -21.46 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.8 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.1 m -66.28 -34.27 77.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -91.51 -1.89 57.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.18 21.64 62.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.53 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.408 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 92.9 mt -88.75 125.88 41.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 pt -105.98 144.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 0.0 110.651 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 47' ' ' LEU . 1.9 tt -135.94 121.05 18.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -80.15 162.75 24.56 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.458 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.38 -38.41 91.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.653 0.263 . . . . 0.0 110.84 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.67 -40.53 97.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.02 -38.52 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.738 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.601 ' HG3' HD22 ' A' ' 39' ' ' LEU . 23.1 mtpp -56.71 -38.1 71.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 111.444 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.83 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.839 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.57 -6.95 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 39' ' ' LEU . 21.5 mt -78.53 153.08 78.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.162 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.72 147.51 87.6 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.91 2.407 . . . . 0.0 111.918 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -66.27 -24.6 66.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.091 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -127.08 119.25 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -105.22 127.47 59.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.3 -179.27 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.613 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 50.1 ttm -56.52 -33.59 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.549 0.214 . . . . 0.0 111.313 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.68 -50.16 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -75.06 -30.32 60.96 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.619 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.609 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 11.2 t-105 -57.83 -48.99 78.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.794 0.33 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.814 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 43.5 mt -65.03 -49.86 68.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.522 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -54.57 -48.85 71.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.242 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.0 97.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -61.71 -42.76 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.693 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 12.8 mmmm -69.27 -29.48 67.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.569 0.7 . . . . 0.0 110.223 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -81.87 -48.37 11.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.368 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -66.07 -30.95 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -105.14 -161.75 0.83 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.11 -177.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 t30 67.86 32.62 5.14 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 122.393 1.092 . . . . 0.0 109.31 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -92.09 144.32 25.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.096 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 43.4 mt-10 -100.89 -3.29 30.0 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.15 0.5 . . . . 0.0 110.356 -177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -110.67 92.61 14.67 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.609 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 15.0 Cg_exo -68.95 100.52 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.787 2.324 . . . . 0.0 111.722 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -79.25 62.83 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.609 0.718 . . . . 0.0 111.412 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -86.68 9.1 19.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.548 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -84.42 -17.31 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.222 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 tp -101.99 -39.76 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.279 0.561 . . . . 0.0 109.721 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 t30 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.444 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.79 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.44 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 36.5 m -63.23 -33.9 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.38 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.52 -45.5 62.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.202 0.525 . . . . 0.0 109.698 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.649 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG3' HD22 ' A' ' 57' ' ' LEU . 35.1 tt0 -56.63 -40.92 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.291 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 3' ' ' SER . 51.3 mt-10 -66.29 -38.61 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.549 . . . . 0.0 110.145 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.42 -44.17 83.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.312 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -62.21 -34.15 75.93 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.405 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 71.8 ttt180 -57.72 -47.45 82.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.483 . . . . 0.0 110.26 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 36.4 tt0 -69.81 -44.52 69.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.064 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.8 90.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.444 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 57.7 t80 -58.07 -44.85 87.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.75 -36.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.983 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 83.0 mt -60.54 -47.13 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.336 . . . . 0.0 110.838 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -77.23 -30.32 54.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 t -97.0 4.42 51.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 71.98 -68.75 0.21 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 111.344 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.3 m -146.98 -34.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.963 0.411 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -63.9 138.24 58.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.203 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.87 -14.42 58.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -98.15 129.18 44.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 19.9 tt -104.18 133.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 0.0 112.011 -171.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.16 136.21 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.379 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.02 69.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.921 -173.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.462 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.3 p90 -72.79 -30.67 64.28 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.419 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 35.6 mmtt -86.29 -16.82 36.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.4 t80 -69.25 -45.15 70.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.434 -172.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -69.84 -44.05 70.7 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.89 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 11.1 pt-20 -64.26 -30.8 71.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.627 176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.8 tm? -60.07 -39.59 86.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.441 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.482 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 13.8 ptp -89.07 -31.26 18.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -21.65 65.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.082 -0.647 . . . . 0.0 109.697 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.9 t -64.09 -25.0 67.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -97.54 8.14 45.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.59 7.26 88.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.571 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.3 mt -86.65 134.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 110.332 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 pt -108.09 150.05 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 0.0 111.405 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -123.25 123.7 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.871 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.5 p -88.94 163.18 15.7 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.859 -0.737 . . . . 0.0 111.872 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.81 -42.74 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.14 -41.23 87.78 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.047 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.42 -49.08 52.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.614 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.824 ' HG2' HD13 ' A' ' 39' ' ' LEU . 25.3 mtpp -56.57 -39.66 73.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 111.569 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.24 -15.1 63.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.26 0.81 18.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.892 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 39' ' ' LEU . 20.3 mt -84.19 147.95 51.9 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.15 143.64 96.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.619 2.212 . . . . 0.0 111.503 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.81 -32.02 73.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.627 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -115.02 116.51 28.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.03 127.43 61.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.85 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -99.08 167.72 10.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.435 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.547 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.7 ttm -55.21 -34.39 63.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.579 0.228 . . . . 0.0 111.374 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.32 -42.66 82.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.565 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.06 -34.61 73.42 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.422 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -59.0 -48.7 80.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.412 . . . . 0.0 110.441 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 53' ' ' MET . 40.0 mt -58.82 -48.12 82.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.885 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.92 -44.75 95.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.785 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -62.67 -45.9 90.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.368 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.74 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -69.89 -23.54 63.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -178.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -70.35 -31.42 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -70.86 -30.47 66.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.098 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -138.71 73.33 1.43 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.677 . . . . 0.0 111.702 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 13.7 t-20 -119.8 29.05 7.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.175 0.988 . . . . 0.0 109.036 175.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -90.4 50.37 1.83 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.912 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.75 -48.53 69.6 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.773 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -132.33 88.42 39.9 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.125 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.86 104.0 0.36 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.111 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.85 -53.91 10.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.209 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm 60.24 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.5 m170 65.15 175.64 0.21 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.378 0.671 . . . . 0.0 112.142 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.6 tt 44.59 44.46 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 122.365 1.078 . . . . 0.0 111.332 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.096 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 33.9 tpp . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.072 0.463 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.89 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.919 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.018 0.437 . . . . 0.0 110.928 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.516 ' H ' ' HG3' ' A' ' 1' ' ' MET . 32.2 t70 -73.07 -35.72 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 109.964 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.3 tpt -67.01 -41.26 86.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.633 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 11.7 pt-20 -63.82 -36.5 84.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.995 0.426 . . . . 0.0 110.491 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.88 -36.74 84.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 4' ' ' ASP . 54.7 mtpt -60.24 -38.84 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.581 0.229 . . . . 0.0 110.484 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 23.6 m-85 -62.08 -43.55 98.58 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 14' ' ' ILE . 55.2 ttt180 -60.7 -46.71 89.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.54 -43.83 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.371 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.47 70.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.77 -41.17 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.514 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 10' ' ' ARG . 81.8 mt -60.11 -36.5 68.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.0 110.432 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.64 -47.62 77.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' A' ' 21' ' ' ASP . 3.7 m-85 -76.79 -44.95 30.72 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.661 ' C ' ' HB2' ' A' ' 21' ' ' ASP . 66.2 m -109.33 12.82 24.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -168.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.517 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 15.5 m -7.96 -80.56 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.444 1.498 . . . . 0.0 114.855 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 21' ' ' ASP . 4.7 p -130.59 -82.8 0.54 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.215 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.8 m -86.2 29.05 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.757 1.265 . . . . 0.0 108.733 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.661 ' HB2' ' C ' ' A' ' 17' ' ' SER . 6.3 m-20 -105.24 19.27 20.89 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.56 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -76.49 145.26 39.29 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 121.666 0.746 . . . . 0.0 109.579 -164.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 27' ' ' LYS . 10.3 tt -99.53 127.06 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 114.512 -1.222 . . . . 0.0 113.413 -147.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.4 162.26 27.37 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.526 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.86 -32.01 71.45 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.86 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -72.77 -39.03 67.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.575 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' O ' HD11 ' A' ' 23' ' ' ILE . 4.1 tmtm? -83.51 -12.29 56.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.131 0.967 . . . . 0.0 109.44 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 48.3 t80 -79.11 -33.54 44.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.588 -175.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 39' ' ' LEU . 3.4 t80 -70.01 -33.92 72.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.388 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.62 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 7.2 pt-20 -66.1 -30.12 70.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.629 177.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 49.4 tp -63.1 -38.2 90.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 173.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptp -91.98 -31.17 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.62 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 1.1 p-10 -67.14 -22.97 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.257 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -66.3 -24.8 66.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.828 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -97.56 -8.32 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.999 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.09 19.97 60.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.466 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.84 137.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.6 pt -110.24 150.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.983 0.42 . . . . 0.0 110.734 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.891 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -121.6 129.47 52.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.115 -175.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -91.05 162.39 14.72 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.196 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.47 -42.44 92.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.661 0.267 . . . . 0.0 111.044 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -59.86 -40.8 89.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.6 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.53 -47.01 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.891 ' HG2' HD13 ' A' ' 39' ' ' LEU . 27.8 mtpp -56.56 -41.5 76.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.477 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -15.29 63.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.929 0.395 . . . . 0.0 111.227 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.19 29.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 39' ' ' LEU . 12.6 mt -88.18 147.7 41.03 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.747 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.71 161.22 39.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.996 2.464 . . . . 0.0 111.568 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.34 -24.39 62.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 8.0 p-10 -132.21 119.66 21.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.411 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 1.9 mp -83.88 130.73 35.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.673 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -103.6 -179.63 4.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.6 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.552 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 37.5 ttm -64.33 -44.31 91.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.662 -174.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -60.05 -38.24 82.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.887 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' HE1' HD22 ' A' ' 47' ' ' LEU . 25.9 t80 -75.28 -42.15 55.58 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.508 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -57.15 -48.54 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.558 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 53' ' ' MET . 30.1 mt -64.74 -50.64 66.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.988 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -62.37 -39.7 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.902 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.39 -42.9 96.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.551 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.73 77.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.3 mmmt -68.13 -24.39 65.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 122.025 0.917 . . . . 0.0 110.248 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.01 -31.46 70.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.506 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -77.4 -30.41 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.777 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 168.2 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.408 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.16 33.62 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.912 0.863 . . . . 0.0 109.403 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -98.35 48.29 0.99 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.95 0.881 . . . . 0.0 110.335 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -85.03 -35.33 21.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.714 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 57.04 71.31 1.15 Allowed Pre-proline 0 CA--C 1.534 0.342 0 O-C-N 123.735 0.647 . . . . 0.0 111.011 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.38 126.48 3.65 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.533 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -89.75 42.06 1.07 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -90.21 81.95 6.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.42 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -96.44 -86.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.19 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 73' ' ' ILE . 2.5 pp -103.4 -17.2 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.775 0.321 . . . . 0.0 111.599 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.744 178.846 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.71 70.08 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -166.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 46.9 t -62.05 -42.51 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.676 0.274 . . . . 0.0 111.657 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.97 -31.26 66.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.508 0.67 . . . . 0.0 110.223 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 13.6 tpt -69.33 -43.23 74.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.571 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 12.3 pt-20 -63.85 -37.9 89.1 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.21 -36.01 78.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.259 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.2 -35.93 81.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.774 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.8 m-85 -66.84 -41.14 87.88 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 62.5 ttt180 -57.75 -46.09 84.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.702 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.13 -44.33 76.33 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.86 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.59 86.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.676 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.92 -42.71 85.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.261 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -63.88 -43.46 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.921 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.09 -47.27 83.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.744 0.307 . . . . 0.0 111.464 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.74 -36.19 75.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -84.72 -18.49 35.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.668 0.271 . . . . 0.0 110.747 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.9 m 67.54 -73.14 0.08 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.9 m -142.2 41.44 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.27 0.557 . . . . 0.0 109.907 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -134.28 147.41 50.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.98 -13.97 37.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.424 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 58.0 m170 -122.18 141.59 51.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.625 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp -101.7 134.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.28 0.562 . . . . 0.0 111.085 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.8 142.3 56.24 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.307 175.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.98 -31.4 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.036 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -75.92 -41.23 52.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.172 0.51 . . . . 0.0 110.221 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -79.58 -23.87 42.43 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 121.855 0.836 . . . . 0.0 109.674 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' HG3' ' A' ' 32' ' ' MET . 49.3 t80 -68.25 -39.78 82.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.461 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.614 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.705 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.1 pt-20 -67.04 -32.29 73.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.902 0.382 . . . . 0.0 110.398 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.3 tp -61.79 -38.31 87.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.318 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.3 -30.09 11.69 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.636 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.705 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.9 p30 -67.22 -25.06 65.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.753 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -67.22 -27.99 67.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.685 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -87.45 1.2 54.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.02 72.11 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -75.88 129.2 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.9 mt -95.51 115.33 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 47' ' ' LEU . 3.1 tt -133.42 120.42 20.89 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -90.09 169.42 11.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.17 -36.73 84.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 110.16 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.48 -40.11 85.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.585 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -39.24 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.743 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 29.0 mmmt -55.97 -34.79 66.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.645 0.26 . . . . 0.0 111.525 174.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.041 0.448 . . . . 0.0 110.794 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.53 -18.97 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 39' ' ' LEU . 1.5 mt -69.4 126.89 92.97 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.606 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 149.0 81.4 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.757 2.305 . . . . 0.0 111.649 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -64.0 -25.98 68.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.871 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -114.49 115.5 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 170.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 68.8 mt -105.58 120.81 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.357 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -109.16 -178.25 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.653 0.263 . . . . 0.0 111.609 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 44.9 tpp -56.61 -44.98 81.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.743 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.22 -46.09 75.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.762 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -71.41 -41.03 70.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.239 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 10.0 t-105 -57.41 -49.08 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.43 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.1 mt -63.88 -49.23 73.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.059 0.457 . . . . 0.0 110.35 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.26 -40.47 90.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.833 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.86 -45.67 92.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.002 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -44.95 72.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -71.3 -23.12 61.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.821 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 6.4 ttpm? -74.03 -22.23 59.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.253 0.549 . . . . 0.0 110.845 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.02 -28.64 57.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.463 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -145.18 80.63 1.61 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.354 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.74 70.58 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.543 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -77.39 52.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.255 0.55 . . . . 0.0 110.697 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.81 -32.01 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.804 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -163.22 102.94 0.99 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.873 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.9 65.46 8.92 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.708 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -87.07 72.74 9.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.868 0.842 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -63.09 -16.43 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.119 -174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -67.58 -10.74 54.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.696 0.284 . . . . 0.0 111.389 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.86 88.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.337 -0.84 . . . . 0.0 109.948 -179.432 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.78 76.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.693 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 12.1 p -67.72 -34.43 76.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.895 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.77 -38.66 70.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.024 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.5 tpt -68.55 -39.05 81.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.716 -177.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 3' ' ' SER . 12.2 pt-20 -59.38 -37.64 78.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.529 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 -37.59 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.638 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.39 -33.95 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.694 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 68.8 m-85 -72.37 -38.0 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.986 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 75.8 ttt180 -57.95 -46.1 85.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.231 0.539 . . . . 0.0 110.199 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.5 tt0 -59.07 -43.69 91.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.648 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' O ' ' HD1' ' A' ' 16' ' ' PHE . . . -67.36 -39.64 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -57.75 -41.65 82.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.905 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -60.91 -43.6 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.983 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 11' ' ' GLU . 4.4 mm? -67.22 -47.81 69.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.666 0.269 . . . . 0.0 111.696 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' HD1' ' O ' ' A' ' 12' ' ' ALA . 45.0 m-85 -71.33 -35.89 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 20' ' ' SER . 9.0 t -85.73 -19.63 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.912 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.5 m 69.87 -67.76 0.22 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.589 0.755 . . . . 0.0 112.23 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -152.6 32.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.603 0.716 . . . . 0.0 109.802 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HB2' ' OG ' ' A' ' 17' ' ' SER . 40.8 m -118.88 156.99 28.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -90.53 -39.1 12.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.104 0.478 . . . . 0.0 110.562 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -112.03 145.58 39.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.917 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.3 tt -103.81 128.92 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.359 0.6 . . . . 0.0 111.194 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -58.52 138.61 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.049 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 49' ' ' ASN . 97.5 mtp -63.83 -28.69 70.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.837 -175.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -70.15 -31.59 69.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.06 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -85.18 -25.27 27.5 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.926 0.87 . . . . 0.0 109.755 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE1' ' HG2' ' A' ' 32' ' ' MET . 80.3 t80 -56.12 -44.59 79.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.953 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -63.0 -39.66 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.712 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.4 pt-20 -66.8 -32.4 73.66 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.533 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.2 tp -63.26 -36.62 84.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.719 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 3.6 ppp? -102.07 -31.49 10.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -170.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.712 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.0 p30 -68.12 -23.93 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.846 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -62.42 -32.54 73.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.983 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.99 -1.33 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.046 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.07 13.38 62.19 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.051 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.71 132.55 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.94 0.4 . . . . 0.0 110.269 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 pt -114.76 151.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 44' ' ' LYS . 8.8 mt -122.37 144.06 49.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 15.6 p -91.18 167.42 12.35 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 175.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -58.18 -46.99 84.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.99 0.424 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.421 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.87 -46.98 87.04 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.58 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HG2' HD13 ' A' ' 39' ' ' LEU . 21.5 mtpp -56.89 -42.71 80.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.326 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.61 -18.21 61.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.53 -8.29 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.56 144.75 74.27 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.89 140.97 97.55 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.252 1.968 . . . . 0.0 110.704 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 49.1 m-80 -63.95 -26.76 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -114.27 116.4 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 170.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.6 mt -104.97 129.33 57.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -108.72 171.76 7.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.035 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 30.8 tpp -55.82 -37.72 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.097 0.475 . . . . 0.0 110.47 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.83 -49.33 75.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.443 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -70.81 -34.28 71.57 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.382 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.482 ' NE1' ' HB3' ' A' ' 9' ' ' PHE . 9.2 t-105 -57.35 -48.94 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 111.624 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.9 mt -63.14 -47.05 84.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 0.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 44.7 t-20 -63.53 -42.08 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.117 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 39' ' ' LEU . 16.8 t80 -61.27 -46.4 90.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.337 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.876 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -70.06 -22.94 63.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.918 -178.153 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -73.42 -34.1 65.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.088 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -69.59 -29.95 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 61' ' ' LYS . 23.2 p90 -114.98 35.77 4.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.514 0.673 . . . . 0.0 110.875 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -89.43 69.55 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -118.64 155.67 30.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.904 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -86.37 4.54 38.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.198 0.523 . . . . 0.0 111.257 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.63 72.83 0.26 Allowed Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.69 175.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -90.7 163.38 4.18 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.656 2.237 . . . . 0.0 111.306 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -83.16 49.48 1.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.326 0.584 . . . . 0.0 109.912 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -80.48 72.52 7.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.161 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -97.37 -6.59 33.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.95 -8.87 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.201 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.962 177.426 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' HA ' ' OH ' ' A' ' 64' ' ' TYR . . . -60.19 -34.84 74.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.203 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 18.6 t -66.31 -40.91 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 110.164 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 14.6 t70 -66.45 -35.38 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.282 0.563 . . . . 0.0 110.094 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.9 tpt -64.46 -41.81 96.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.169 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG3' HD22 ' A' ' 57' ' ' LEU . 25.3 tt0 -60.55 -39.51 88.18 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 17.2 mm-40 -58.08 -49.45 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 75.1 mmtt -60.84 -41.79 96.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.277 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.1 m-85 -59.37 -37.29 77.53 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.659 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 41.6 ttp-105 -63.5 -47.55 81.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 19.8 mt-10 -63.79 -43.75 95.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.152 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.1 86.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.24 -45.91 91.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.47 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 10' ' ' ARG . 87.6 mt -59.9 -40.24 82.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.023 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -56.8 -48.08 78.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.774 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -77.04 -35.28 56.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.514 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -86.51 -0.04 55.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 t -68.17 72.7 0.19 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.424 0.631 . . . . 0.0 110.858 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.9 t -174.87 -40.4 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.78 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -137.42 175.88 9.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.206 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.38 -34.23 21.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.351 0.595 . . . . 0.0 110.279 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -107.39 157.59 17.85 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -101.91 127.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.62 149.51 42.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.76 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.81 -29.17 59.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.498 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -76.36 -35.26 58.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.241 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -83.06 -33.34 26.45 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.88 0.848 . . . . 0.0 109.711 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' ' HG3' ' A' ' 32' ' ' MET . 56.7 t80 -62.76 -44.82 95.2 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.477 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.956 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.0 pt-20 -66.67 -31.77 72.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.7 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 16.4 tp -63.04 -39.82 95.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.096 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -98.26 -29.36 13.23 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.203 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.696 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.8 p30 -66.02 -25.06 66.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.207 176.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -66.27 -24.94 66.65 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.31 5.62 48.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.55 12.13 83.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.237 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -81.68 128.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.677 0.275 . . . . 0.0 110.323 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 pt -97.12 130.74 45.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.258 0.551 . . . . 0.0 111.145 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 47' ' ' LEU . 4.7 tt -136.25 119.57 16.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.044 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 16.7 p -90.47 171.23 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.92 -40.36 88.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.663 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.7 -45.59 91.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.03 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.55 -37.31 85.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.63 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.729 ' HA ' HD13 ' A' ' 47' ' ' LEU . 28.5 mtpp -54.47 -29.85 51.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.57 0.348 . . . . 0.0 110.916 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.29 -14.27 47.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.48 -20.89 19.27 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.963 0.887 . . . . 0.0 108.96 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' ' 44' ' ' LYS . 5.0 mp -68.99 130.45 91.48 Favored Pre-proline 0 N--CA 1.436 -1.127 0 CA-C-N 113.86 -1.518 . . . . 0.0 109.913 170.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.07 163.13 29.87 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.179 1.92 . . . . 0.0 110.894 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.44 -29.85 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.71 117.17 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -103.62 124.83 58.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.85 0.357 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -111.57 177.39 4.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.9 ttm -58.74 -35.24 72.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.204 0.315 . . . . 0.0 110.96 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -56.1 -49.06 74.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.598 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -68.73 -36.98 79.11 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.773 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 14.6 t-105 -57.14 -48.44 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.77 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 50.1 mt -64.23 -51.18 64.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.247 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.92 -41.19 97.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.085 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 17.6 t80 -61.49 -43.65 98.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.874 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.63 -34.59 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.0 mmmm -66.7 -28.39 68.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.448 0.642 . . . . 0.0 110.325 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -74.85 -42.98 56.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.563 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -71.72 -25.47 62.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.065 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.583 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -29.39 125.72 0.12 Allowed 'General case' 0 C--O 1.234 0.281 0 O-C-N 124.616 1.197 . . . . 0.0 113.072 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -96.31 92.93 6.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.741 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -129.88 139.19 51.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 2.6 mp0 -50.28 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.567 0.542 . . . . 0.0 112.205 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -157.61 130.85 4.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.673 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.99 144.51 27.2 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.645 2.23 . . . . 0.0 111.907 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -118.57 46.33 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 0.0 110.102 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -101.47 59.34 0.88 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.313 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.99 25.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.216 -173.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.68 -20.14 8.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 . . . . . 0 C--O 1.245 0.831 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.893 178.318 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.51 68.21 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -62.81 -47.81 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.511 -176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.68 -39.3 88.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.194 0.521 . . . . 0.0 110.276 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.4 tpt -67.55 -35.33 78.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.417 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' HG3' HD22 ' A' ' 57' ' ' LEU . 22.3 tt0 -56.83 -45.31 82.4 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.165 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.8 -38.1 86.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -61.56 -42.37 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.2 m-85 -71.76 -39.4 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 75.9 ttt180 -59.27 -46.38 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.467 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.83 -43.24 85.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.272 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -71.15 -40.56 71.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.29 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.17 -45.87 86.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.551 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.6 mt -59.79 -38.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.34 -46.13 74.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 62.7 m-85 -76.12 -30.05 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.775 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -90.58 -16.26 29.07 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t 66.84 66.65 0.43 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.624 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m 55.31 52.11 11.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.309 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -142.83 162.46 35.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.098 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.633 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 5.4 p-10 -98.56 1.53 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.105 177.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.45 136.64 54.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp -113.67 134.91 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 111.372 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.16 140.69 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.169 173.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.55 -30.35 65.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.452 -176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.2 p90 -75.75 -30.19 59.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.583 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 mmtp -86.76 -32.59 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.436 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 32' ' ' MET . 62.5 t80 -58.25 -43.98 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.868 -177.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.5 -34.98 79.53 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.965 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.529 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 2.9 mm-40 -66.68 -37.02 83.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.538 0.685 . . . . 0.0 109.736 174.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 22.3 tp -61.15 -38.24 85.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.671 -1.15 . . . . 0.0 112.255 -175.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.12 -31.86 10.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.4 p30 -68.7 -25.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.964 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.92 -24.89 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.508 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.15 5.45 46.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.891 0.377 . . . . 0.0 111.004 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.68 7.29 75.41 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.896 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 80.5 mt -87.72 126.75 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -104.31 129.04 57.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.519 0.675 . . . . 0.0 111.455 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 5.5 tt -135.28 120.76 19.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -86.37 169.55 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 28.1 t-20 -55.12 -47.09 75.51 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.341 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.94 -37.61 80.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 39' ' ' LEU . 47.2 mt-10 -71.76 -47.34 54.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.48 -33.21 73.38 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.21 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 -1.34 57.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.473 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 22.5 mt -79.58 155.3 76.18 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.82 151.77 46.49 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.345 2.03 . . . . 0.0 111.891 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.67 -30.49 71.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.889 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.94 120.32 32.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.8 mt -98.81 118.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.337 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.2 t-20 -90.6 162.48 14.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.716 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.582 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.4 ttm -55.82 -36.81 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.661 0.267 . . . . 0.0 110.729 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.03 -38.3 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.209 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -66.63 -42.37 86.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 5.4 t-105 -59.43 -48.23 82.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.784 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 53' ' ' MET . 54.0 mt -62.68 -48.01 81.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 25.3 t-20 -62.21 -43.15 99.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.603 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 10.9 t80 -61.3 -45.69 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.471 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.59 72.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.531 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.661 ' HA ' ' CE2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.1 -23.82 64.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 -178.062 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -72.35 -26.29 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -77.78 -28.17 50.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.94 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.661 ' CE2' ' HA ' ' A' ' 61' ' ' LYS . 15.0 m-85 -54.8 -43.51 72.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.497 0.665 . . . . 0.0 110.166 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -79.84 3.26 20.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.674 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 64' ' ' TYR . 8.6 m-85 46.84 55.27 8.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.94 -1.936 . . . . 0.0 112.706 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.09 -35.11 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.831 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -133.8 89.95 28.82 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.941 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.85 112.06 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.312 2.674 . . . . 0.0 112.368 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -101.11 19.0 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.028 -173.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.9 -30.33 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 66.3 m80 65.78 -79.83 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.798 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -139.18 160.43 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.683 -0.675 . . . . 0.0 109.586 174.743 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.54 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.609 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 33.2 t -64.54 -36.78 85.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.32 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 13.4 t70 -67.35 -39.84 85.78 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.247 0.546 . . . . 0.0 109.886 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.8 mmm -68.94 -40.19 79.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.83 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 3' ' ' SER . 11.0 pt-20 -64.11 -38.21 90.26 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -175.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 11.9 pt-20 -63.16 -36.68 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mmtp -65.98 -42.66 89.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.923 176.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.1 m-85 -61.08 -40.97 95.7 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.049 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.172 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.4 tt0 -63.28 -44.12 95.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.9 84.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.16 -47.18 84.16 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.19 -41.4 91.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.309 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -57.01 -40.37 76.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.501 . . . . 0.0 110.162 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -77.59 -19.57 55.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.678 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.778 ' HA ' ' CB ' ' A' ' 21' ' ' ASP . 67.7 m -108.05 12.87 26.53 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -47.67 -27.42 1.91 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.3 p -123.54 -144.29 0.33 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.808 0.731 . . . . 0.0 111.549 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -73.0 74.81 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.371 1.082 . . . . 0.0 109.247 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.778 ' CB ' ' HA ' ' A' ' 17' ' ' SER . 16.6 m-20 -107.52 21.51 17.36 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 113.74 -1.573 . . . . 0.0 114.568 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -76.68 126.46 31.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 51' ' ' ILE . 3.4 tt -100.71 128.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -141.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.1 166.99 16.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.559 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -40.49 63.08 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.212 0.32 . . . . 0.0 111.614 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -75.83 -33.44 60.06 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 111.376 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -84.63 -17.83 37.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.628 0.728 . . . . 0.0 110.123 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 76.5 t80 -79.42 -37.8 36.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 11.9 t80 -69.07 -33.29 73.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.077 -175.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.76 -31.66 72.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.46 -29.41 68.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.669 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.5 ptp -100.88 -30.16 11.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.554 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.81 -23.53 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.75 -178.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -65.37 -28.9 69.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.491 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -92.37 -6.09 50.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.166 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.23 59.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.958 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 36.0 mm -70.46 135.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.653 0.264 . . . . 0.0 110.703 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.3 mt -95.95 115.87 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-O 121.09 0.472 . . . . 0.0 110.334 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 44' ' ' LYS . 54.3 tp -135.4 119.92 18.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -88.88 169.8 11.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.74 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.63 -43.4 98.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.931 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.38 -37.26 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 44.3 mt-10 -68.38 -43.62 76.93 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.627 ' HG2' HD21 ' A' ' 39' ' ' LEU . 21.9 mtpp -56.91 -34.96 68.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.282 176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.45 61.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.92 -12.03 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 18.5 mt -78.01 153.19 80.06 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.17 148.45 91.24 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 111.38 176.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -62.78 -30.55 71.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.22 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -123.07 119.26 29.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 94.4 mt -105.54 138.79 29.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -120.66 -178.91 3.83 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.511 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 46.6 ttm -56.17 -33.45 65.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.68 -49.98 74.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.072 -176.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 69.7 t80 -75.36 -30.11 60.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.486 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.24 -48.77 77.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.837 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.716 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 32.4 mt -65.38 -49.5 69.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.18 0.514 . . . . 0.0 110.013 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.794 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 43.7 t80 -61.16 -43.66 98.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.31 99.76 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.686 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 29.2 mmtp -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.024 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.17 -49.73 70.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -28.13 58.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.7 -89.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.531 1.144 . . . . 0.0 113.799 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.08 34.93 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.402 0.62 . . . . 0.0 110.359 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.487 ' HD1' ' O ' ' A' ' 61' ' ' LYS . 68.8 m-85 -125.67 143.47 51.02 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.974 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.76 -158.5 0.6 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.114 0.483 . . . . 0.0 110.261 -172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 48.87 69.72 2.53 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.84 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.44 55.22 5.57 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.766 2.31 . . . . 0.0 112.418 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HA ' ' CE1' ' A' ' 72' ' ' HIS . 7.1 p90 -81.91 -163.78 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.591 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 62.62 44.77 6.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 122.158 0.98 . . . . 0.0 109.466 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 70' ' ' PHE . 12.3 p-80 -124.11 -4.89 7.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.115 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.5 tt -164.16 -32.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.676 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.326 0.584 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.41 75.52 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.63 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -63.23 -37.89 89.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.052 0.453 . . . . 0.0 110.885 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 24.9 t70 -70.22 -43.06 71.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.136 0.493 . . . . 0.0 110.515 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 95.1 mmm -67.19 -33.26 75.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.098 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' HG3' HD11 ' A' ' 57' ' ' LEU . 32.1 tt0 -54.26 -44.84 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.01 -40.9 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.791 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 45.0 mmtm -66.71 -47.36 72.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.813 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 5' ' ' MET . 53.3 m-85 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.608 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.621 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 79.6 ttt180 -58.41 -46.8 85.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.155 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.5 tt0 -68.42 -44.18 75.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.33 -177.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.01 83.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -57.61 -45.25 85.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.8 mt -61.74 -43.64 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.86 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 86.0 mt -62.22 -42.62 99.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.47 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.13 -43.67 42.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -83.41 -19.75 35.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.44 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m 61.98 13.39 5.58 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.039 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.4 m -143.34 -148.4 0.24 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.41 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -155.8 -47.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.922 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.56 -18.03 42.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.707 -175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -144.52 150.16 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.713 0.292 . . . . 0.0 111.491 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 tt -139.85 138.3 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.698 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -59.69 134.86 57.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.0 mmt -61.61 -34.14 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.927 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -73.05 -35.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 110.553 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -80.67 -28.56 36.75 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 68.5 t80 -60.04 -41.23 91.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.771 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' MET . 31.8 t80 -68.38 -46.5 69.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.937 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HA ' ' OD1' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.68 -29.15 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.148 0.499 . . . . 0.0 110.691 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.4 tm? -58.71 -39.01 79.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.131 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.658 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 15.3 ptp -86.59 -30.3 21.95 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 30' ' ' GLU . 10.3 m120 -59.1 -30.82 68.39 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.172 0.51 . . . . 0.0 109.751 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -64.38 -24.95 67.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.533 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.82 1.61 48.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.265 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.29 20.25 64.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.26 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.468 HG12 ' CE1' ' A' ' 63' ' ' HIS . 94.3 mt -87.9 131.15 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.696 0.284 . . . . 0.0 110.638 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.45 119.97 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HB2' ' SD ' ' A' ' 32' ' ' MET . 56.4 tp -112.25 120.48 41.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -88.08 166.57 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.402 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.22 -33.96 77.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.34 -46.27 87.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.74 -37.87 87.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.443 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HZ3' ' CD2' ' A' ' 39' ' ' LEU . 36.4 mttm -55.71 -40.62 72.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.725 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -15.42 63.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.074 0.464 . . . . 0.0 110.671 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.81 19.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.21 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 8.5 mt -75.99 136.76 69.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.92 153.82 48.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.746 2.297 . . . . 0.0 111.279 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -63.57 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.863 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.06 115.29 30.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.36 133.87 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.493 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 54' ' ' ASP . 26.1 p-10 -125.81 -174.02 2.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.621 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 45.1 ttm -65.62 -40.42 92.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.437 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.489 ' HB3' HD21 ' A' ' 52' ' ' ASN . 24.1 t70 -59.4 -47.83 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.358 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.75 -42.5 95.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.06 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -59.31 -48.26 82.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.223 0.535 . . . . 0.0 111.072 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD11 ' HG3' ' A' ' 6' ' ' GLU . 10.4 tp -58.92 -50.24 74.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.326 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.97 -40.16 95.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.003 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.57 -41.98 91.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 109.556 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' A' ' 9' ' ' PHE . . . -68.45 -46.38 69.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.157 -177.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -71.66 -24.59 61.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.416 0.627 . . . . 0.0 111.149 -178.332 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.06 -49.37 10.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.062 -176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 37' ' ' ILE . 3.5 p-80 -65.03 -29.73 70.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.249 -172.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -106.19 -174.14 2.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.871 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 60.3 51.61 5.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.935 0.874 . . . . 0.0 110.191 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -104.55 111.89 24.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.47 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.85 -31.26 56.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.435 0.636 . . . . 0.0 109.873 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -137.16 98.39 10.34 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.22 1.947 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -81.48 65.62 6.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 74' ' ' ASN . 32.2 mmtp -67.99 -65.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.798 -177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.9 m80 52.75 79.04 0.12 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.674 0.609 . . . . 0.0 110.851 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.6 mt 67.15 76.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.822 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 71' ' ' LYS . 3.0 t-20 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.937 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.6 t . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.886 0.374 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.36 -40.88 94.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 110.409 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.607 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.2 tpt -67.6 -35.79 79.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.172 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HG3' HD22 ' A' ' 57' ' ' LEU . 20.0 tt0 -57.25 -39.94 76.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.124 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 3' ' ' SER . 29.8 mm-40 -57.02 -43.77 82.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -66.53 -37.97 86.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.112 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.6 m-85 -65.57 -40.19 92.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.178 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.599 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 44.4 ttm105 -64.1 -45.25 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.958 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 39.1 tt0 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -67.38 -38.05 84.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 34.7 t80 -57.08 -48.91 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.742 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.66 -36.87 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.375 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 91.2 mt -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.664 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HD2' ' O ' ' A' ' 12' ' ' ALA . 29.0 m-85 -76.08 -42.35 47.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.96 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.328 -0.329 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.974 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 21.3 tt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.05 0.452 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.21 143.26 58.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.503 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.2 -32.05 73.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.265 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -76.32 -30.99 57.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.539 0.685 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HD3' ' CD ' ' A' ' 30' ' ' GLU . 17.7 tppt? -85.48 -7.99 58.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.846 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.7 t80 -79.46 -44.45 21.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.959 -1.019 . . . . 0.0 112.575 -174.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 26.7 t80 -68.26 -36.2 79.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.704 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.695 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 12.8 pt-20 -66.08 -30.39 70.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.628 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.1 tp -60.63 -34.82 74.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.949 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.655 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 63.0 mtm -88.8 -33.52 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.695 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.5 p30 -67.45 -22.84 65.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -64.61 -29.36 70.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.207 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -97.61 -9.71 26.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.65 58.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.318 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.82 126.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.702 0.286 . . . . 0.0 110.314 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.11 142.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.601 . . . . 0.0 111.633 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.85 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -104.31 123.7 47.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.802 -178.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 p -86.5 163.8 17.31 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.947 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.91 -43.89 86.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.745 0.307 . . . . 0.0 110.82 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.61 -40.37 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 37.9 mt-10 -70.67 -43.89 68.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.827 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.85 ' HG2' HD13 ' A' ' 39' ' ' LEU . 17.5 mtpp -56.66 -36.01 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 111.234 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.13 -14.37 61.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.79 -19.4 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 39' ' ' LEU . 10.3 mt -74.04 137.44 75.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.92 147.82 94.37 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.866 2.377 . . . . 0.0 111.235 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.07 -22.94 67.14 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -115.24 116.7 28.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -106.46 130.44 58.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -109.42 -175.13 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.187 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.681 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 38.2 tpp -60.97 -45.67 93.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.993 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.04 -42.26 98.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.722 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.64 -41.63 96.0 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.735 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.655 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 8.3 t-105 -57.96 -49.04 78.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.811 176.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 62.9 mt -58.95 -49.37 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.855 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.2 -46.24 78.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.887 0.742 . . . . 0.0 111.104 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -60.86 -38.68 86.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.28 0.562 . . . . 0.0 109.551 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.6 -27.88 66.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.431 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 1.2 mmpm? -67.29 -37.48 83.49 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.588 0.708 . . . . 0.0 109.514 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 62' ' ' LYS . 34.5 ttpt -72.4 -47.74 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.543 -175.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 110.248 178.648 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 20.1 t70 -67.65 -43.11 81.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.104 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.582 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.0 tpt -63.64 -36.88 85.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.513 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 57' ' ' LEU . 26.4 tt0 -60.92 -40.66 94.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.742 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 3' ' ' SER . 51.0 mm-40 -56.65 -48.43 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.221 0.534 . . . . 0.0 110.251 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 1.1 mptm? -59.57 -45.29 92.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.222 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 23.4 m-85 -62.19 -42.55 99.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.936 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.613 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 43.7 ttm105 -60.34 -46.83 88.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.165 0.507 . . . . 0.0 110.957 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.58 -45.31 90.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.351 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.41 78.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.384 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -57.75 -46.93 83.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.051 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.92 -36.33 66.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.368 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -57.78 -45.72 85.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.805 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -76.96 -30.16 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.137 -174.607 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 tt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.946 0.879 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.07 147.68 46.54 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.357 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.523 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 26.3 mmt -55.34 -29.77 58.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.937 -174.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.633 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 30.1 p90 -73.3 -34.87 65.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.063 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 49.0 mmtt -86.13 -22.14 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.332 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' MET . 63.0 t80 -67.61 -45.02 76.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.963 -176.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 32' ' ' MET . 13.4 t80 -69.48 -39.68 77.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.022 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.03 -30.53 71.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 32.1 tp -60.65 -34.44 74.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.609 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 65.1 mtm -89.1 -34.67 16.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -21.46 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.8 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.1 m -66.28 -34.27 77.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -91.51 -1.89 57.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.18 21.64 62.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.53 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' CE1' ' A' ' 63' ' ' HIS . 92.9 mt -88.75 125.88 41.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 pt -105.98 144.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 0.0 110.651 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 47' ' ' LEU . 1.9 tt -135.94 121.05 18.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -80.15 162.75 24.56 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.458 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.38 -38.41 91.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.653 0.263 . . . . 0.0 110.84 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.67 -40.53 97.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.02 -38.52 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.738 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.601 ' HG3' HD22 ' A' ' 39' ' ' LEU . 23.1 mtpp -56.71 -38.1 71.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 111.444 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.83 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.839 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.57 -6.95 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 39' ' ' LEU . 21.5 mt -78.53 153.08 78.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.162 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.72 147.51 87.6 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.91 2.407 . . . . 0.0 111.918 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -66.27 -24.6 66.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.091 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -127.08 119.25 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -105.22 127.47 59.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.3 -179.27 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.613 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 50.1 ttm -56.52 -33.59 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.549 0.214 . . . . 0.0 111.313 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.68 -50.16 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -75.06 -30.32 60.96 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.619 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.609 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 11.2 t-105 -57.83 -48.99 78.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.794 0.33 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.814 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 43.5 mt -65.03 -49.86 68.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.522 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -54.57 -48.85 71.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.242 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.0 97.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -61.71 -42.76 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.693 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 12.8 mmmm -69.27 -29.48 67.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.569 0.7 . . . . 0.0 110.223 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -81.87 -48.37 11.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.368 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.451 ' CE1' HG12 ' A' ' 37' ' ' ILE . 1.6 p80 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 36.5 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.547 0.213 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.52 -45.5 62.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.202 0.525 . . . . 0.0 109.698 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.649 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG3' HD22 ' A' ' 57' ' ' LEU . 35.1 tt0 -56.63 -40.92 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.291 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 3' ' ' SER . 51.3 mt-10 -66.29 -38.61 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.549 . . . . 0.0 110.145 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.42 -44.17 83.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.312 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -62.21 -34.15 75.93 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.405 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 71.8 ttt180 -57.72 -47.45 82.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.483 . . . . 0.0 110.26 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 36.4 tt0 -69.81 -44.52 69.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.064 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.8 90.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.444 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 57.7 t80 -58.07 -44.85 87.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.75 -36.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.983 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 83.0 mt -60.54 -47.13 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.336 . . . . 0.0 110.838 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -77.23 -30.32 54.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -177.341 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 19.9 tt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.292 0.568 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.16 136.21 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.379 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.02 69.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.921 -173.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.462 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.3 p90 -72.79 -30.67 64.28 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.419 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 35.6 mmtt -86.29 -16.82 36.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.4 t80 -69.25 -45.15 70.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.434 -172.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -69.84 -44.05 70.7 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.89 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 11.1 pt-20 -64.26 -30.8 71.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.627 176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.8 tm? -60.07 -39.59 86.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.441 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.482 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 13.8 ptp -89.07 -31.26 18.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -21.65 65.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.082 -0.647 . . . . 0.0 109.697 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.9 t -64.09 -25.0 67.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -97.54 8.14 45.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.59 7.26 88.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.571 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.3 mt -86.65 134.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 110.332 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 pt -108.09 150.05 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 0.0 111.405 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -123.25 123.7 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.871 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.5 p -88.94 163.18 15.7 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.859 -0.737 . . . . 0.0 111.872 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.81 -42.74 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.14 -41.23 87.78 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.047 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.42 -49.08 52.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.614 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.824 ' HG2' HD13 ' A' ' 39' ' ' LEU . 25.3 mtpp -56.57 -39.66 73.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 111.569 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.24 -15.1 63.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.26 0.81 18.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.892 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 39' ' ' LEU . 20.3 mt -84.19 147.95 51.9 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.15 143.64 96.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.619 2.212 . . . . 0.0 111.503 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.81 -32.02 73.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.627 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -115.02 116.51 28.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.03 127.43 61.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.85 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -99.08 167.72 10.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.435 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.547 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.7 ttm -55.21 -34.39 63.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.579 0.228 . . . . 0.0 111.374 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.32 -42.66 82.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.565 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.06 -34.61 73.42 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.422 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -59.0 -48.7 80.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.412 . . . . 0.0 110.441 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 53' ' ' MET . 40.0 mt -58.82 -48.12 82.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.885 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.92 -44.75 95.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.785 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -62.67 -45.9 90.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.368 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.74 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -23.54 63.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -70.35 -31.42 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.098 -179.38 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.018 0.437 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 32.2 t70 -73.07 -35.72 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 109.964 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.3 tpt -67.01 -41.26 86.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.633 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 11.7 pt-20 -63.82 -36.5 84.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.995 0.426 . . . . 0.0 110.491 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.88 -36.74 84.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 4' ' ' ASP . 54.7 mtpt -60.24 -38.84 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.581 0.229 . . . . 0.0 110.484 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 23.6 m-85 -62.08 -43.55 98.58 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 14' ' ' ILE . 55.2 ttt180 -60.7 -46.71 89.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.54 -43.83 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.371 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.47 70.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.77 -41.17 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.514 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 10' ' ' ARG . 81.8 mt -60.11 -36.5 68.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.0 110.432 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.64 -47.62 77.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.79 -44.95 30.72 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -168.404 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 27' ' ' LYS . 10.3 tt . . . . . 0 N--CA 1.438 -1.058 0 CA-C-O 122.308 1.051 . . . . 0.0 113.413 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.4 162.26 27.37 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.526 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.86 -32.01 71.45 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.86 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -72.77 -39.03 67.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.575 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' O ' HD11 ' A' ' 23' ' ' ILE . 4.1 tmtm? -83.51 -12.29 56.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.131 0.967 . . . . 0.0 109.44 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 48.3 t80 -79.11 -33.54 44.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.588 -175.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 39' ' ' LEU . 3.4 t80 -70.01 -33.92 72.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.388 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.77 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 7.2 pt-20 -66.1 -30.12 70.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.629 177.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 49.4 tp -63.1 -38.2 90.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 173.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptp -91.98 -31.17 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.77 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.6 p30 -67.14 -22.97 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.257 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -66.3 -24.8 66.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.828 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -97.56 -8.32 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.999 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.09 19.97 60.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.466 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.84 137.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.6 pt -110.24 150.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.983 0.42 . . . . 0.0 110.734 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.891 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -121.6 129.47 52.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.115 -175.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -91.05 162.39 14.72 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.196 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.47 -42.44 92.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.661 0.267 . . . . 0.0 111.044 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -59.86 -40.8 89.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.6 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.53 -47.01 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.891 ' HG2' HD13 ' A' ' 39' ' ' LEU . 27.8 mtpp -56.56 -41.5 76.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.477 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -15.29 63.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.929 0.395 . . . . 0.0 111.227 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.19 29.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 39' ' ' LEU . 12.6 mt -88.18 147.7 41.03 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.747 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.71 161.22 39.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.996 2.464 . . . . 0.0 111.568 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.34 -24.39 62.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 8.0 p-10 -132.21 119.66 21.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 1.9 mp -83.88 130.73 35.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.673 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -103.6 -179.63 4.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.6 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.552 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 37.5 ttm -64.33 -44.31 91.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.662 -174.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -60.05 -38.24 82.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.887 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' HE1' HD22 ' A' ' 47' ' ' LEU . 25.9 t80 -75.28 -42.15 55.58 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.508 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -57.15 -48.54 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.558 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 53' ' ' MET . 30.1 mt -64.74 -50.64 66.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.988 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -62.37 -39.7 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.902 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.39 -42.9 96.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.551 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.73 77.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.3 mmmt -68.13 -24.39 65.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 122.025 0.917 . . . . 0.0 110.248 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.01 -31.46 70.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.506 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.777 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 46.9 t . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 120.676 0.274 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.97 -31.26 66.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.508 0.67 . . . . 0.0 110.223 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 13.6 tpt -69.33 -43.23 74.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.571 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.614 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 12.3 pt-20 -63.85 -37.9 89.1 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.21 -36.01 78.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.259 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.2 -35.93 81.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.774 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.8 m-85 -66.84 -41.14 87.88 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 62.5 ttt180 -57.75 -46.09 84.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.702 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.13 -44.33 76.33 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.86 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.59 86.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.676 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.92 -42.71 85.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.261 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -63.88 -43.46 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.921 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.09 -47.27 83.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.744 0.307 . . . . 0.0 111.464 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.74 -36.19 75.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.668 0.271 . . . . 0.0 110.747 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.28 0.562 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.8 142.3 56.24 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.307 175.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.98 -31.4 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.036 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -75.92 -41.23 52.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.172 0.51 . . . . 0.0 110.221 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -79.58 -23.87 42.43 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 121.855 0.836 . . . . 0.0 109.674 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' HG3' ' A' ' 32' ' ' MET . 49.3 t80 -68.25 -39.78 82.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.461 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.614 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.705 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.1 pt-20 -67.04 -32.29 73.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.902 0.382 . . . . 0.0 110.398 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.3 tp -61.79 -38.31 87.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.318 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.3 -30.09 11.69 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.705 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.9 p30 -67.22 -25.06 65.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.753 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -67.22 -27.99 67.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.685 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -87.45 1.2 54.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.02 72.11 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -75.88 129.2 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.9 mt -95.51 115.33 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 47' ' ' LEU . 3.1 tt -133.42 120.42 20.89 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -90.09 169.42 11.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.17 -36.73 84.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 110.16 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.48 -40.11 85.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.585 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -39.24 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.743 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 29.0 mmmt -55.97 -34.79 66.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.645 0.26 . . . . 0.0 111.525 174.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.041 0.448 . . . . 0.0 110.794 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.53 -18.97 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 39' ' ' LEU . 1.5 mt -69.4 126.89 92.97 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.606 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 149.0 81.4 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.757 2.305 . . . . 0.0 111.649 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -64.0 -25.98 68.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.871 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -114.49 115.5 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 170.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -105.58 120.81 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.357 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' C ' HD22 ' A' ' 52' ' ' ASN . 0.2 OUTLIER -109.16 -178.25 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.653 0.263 . . . . 0.0 111.609 176.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 44.9 tpp -56.61 -44.98 81.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.743 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.22 -46.09 75.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.762 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -71.41 -41.03 70.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.239 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 10.0 t-105 -57.41 -49.08 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.43 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.1 mt -63.88 -49.23 73.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.059 0.457 . . . . 0.0 110.35 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.26 -40.47 90.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.833 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.86 -45.67 92.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.002 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -44.95 72.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -71.3 -23.12 61.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.821 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 6.4 ttpm? -74.03 -22.23 59.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.253 0.549 . . . . 0.0 110.845 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.463 177.001 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 12.1 p . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.167 0.508 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.77 -38.66 70.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.024 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.5 tpt -68.55 -39.05 81.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.716 -177.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 3' ' ' SER . 12.2 pt-20 -59.38 -37.64 78.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.529 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 -37.59 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.638 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.39 -33.95 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.694 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 68.8 m-85 -72.37 -38.0 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.986 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 75.8 ttt180 -57.95 -46.1 85.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.231 0.539 . . . . 0.0 110.199 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.5 tt0 -59.07 -43.69 91.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.648 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' O ' ' HD1' ' A' ' 16' ' ' PHE . . . -67.36 -39.64 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -57.75 -41.65 82.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.905 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -60.91 -43.6 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.983 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 11' ' ' GLU . 4.4 mm? -67.22 -47.81 69.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.666 0.269 . . . . 0.0 111.696 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' HD1' ' O ' ' A' ' 12' ' ' ALA . 45.0 m-85 -71.33 -35.89 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.912 178.452 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 121.359 0.6 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -58.52 138.61 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.049 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 49' ' ' ASN . 97.5 mtp -63.83 -28.69 70.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.837 -175.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -70.15 -31.59 69.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.06 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -85.18 -25.27 27.5 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.926 0.87 . . . . 0.0 109.755 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE1' ' HG2' ' A' ' 32' ' ' MET . 80.3 t80 -56.12 -44.59 79.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.953 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -63.0 -39.66 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.712 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.4 pt-20 -66.8 -32.4 73.66 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.533 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.2 tp -63.26 -36.62 84.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.719 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 3.6 ppp? -102.07 -31.49 10.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -170.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.712 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.0 p30 -68.12 -23.93 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.846 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -62.42 -32.54 73.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.983 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.99 -1.33 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.046 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.07 13.38 62.19 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.051 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.71 132.55 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.94 0.4 . . . . 0.0 110.269 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 pt -114.76 151.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 44' ' ' LYS . 8.8 mt -122.37 144.06 49.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 15.6 p -91.18 167.42 12.35 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 175.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -58.18 -46.99 84.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.99 0.424 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.421 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.87 -46.98 87.04 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.58 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HG2' HD13 ' A' ' 39' ' ' LEU . 21.5 mtpp -56.89 -42.71 80.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.326 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.61 -18.21 61.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.53 -8.29 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.56 144.75 74.27 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.89 140.97 97.55 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.252 1.968 . . . . 0.0 110.704 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 49.1 m-80 -63.95 -26.76 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -114.27 116.4 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 170.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.6 mt -104.97 129.33 57.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -108.72 171.76 7.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.035 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 30.8 tpp -55.82 -37.72 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.097 0.475 . . . . 0.0 110.47 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.83 -49.33 75.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.443 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -70.81 -34.28 71.57 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.382 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.482 ' NE1' ' HB3' ' A' ' 9' ' ' PHE . 9.2 t-105 -57.35 -48.94 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 111.624 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.9 mt -63.14 -47.05 84.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 0.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 44.7 t-20 -63.53 -42.08 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.117 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 39' ' ' LEU . 16.8 t80 -61.27 -46.4 90.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.337 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.876 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -70.06 -22.94 63.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.918 -178.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -73.42 -34.1 65.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.088 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -179.064 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 18.6 t . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.884 0.373 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 14.6 t70 -66.45 -35.38 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.282 0.563 . . . . 0.0 110.094 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.9 tpt -64.46 -41.81 96.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.169 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG3' HD22 ' A' ' 57' ' ' LEU . 25.3 tt0 -60.55 -39.51 88.18 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 17.2 mm-40 -58.08 -49.45 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 75.1 mmtt -60.84 -41.79 96.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.277 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.1 m-85 -59.37 -37.29 77.53 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.659 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 41.6 ttp-105 -63.5 -47.55 81.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 19.8 mt-10 -63.79 -43.75 95.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.152 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.1 86.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.24 -45.91 91.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.47 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 10' ' ' ARG . 87.6 mt -59.9 -40.24 82.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.023 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -56.8 -48.08 78.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.774 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -77.04 -35.28 56.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.514 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.534 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.62 149.51 42.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.76 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.81 -29.17 59.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.498 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -76.36 -35.26 58.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.241 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -83.06 -33.34 26.45 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.88 0.848 . . . . 0.0 109.711 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' ' HG3' ' A' ' 32' ' ' MET . 56.7 t80 -62.76 -44.82 95.2 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.477 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.956 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.0 pt-20 -66.67 -31.77 72.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.7 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 16.4 tp -63.04 -39.82 95.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.096 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -98.26 -29.36 13.23 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.696 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.8 p30 -66.02 -25.06 66.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.207 176.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -66.27 -24.94 66.65 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.31 5.62 48.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.55 12.13 83.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.237 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -81.68 128.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.677 0.275 . . . . 0.0 110.323 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 pt -97.12 130.74 45.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.258 0.551 . . . . 0.0 111.145 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 47' ' ' LEU . 4.7 tt -136.25 119.57 16.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.044 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 16.7 p -90.47 171.23 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.92 -40.36 88.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.663 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.7 -45.59 91.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.03 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.55 -37.31 85.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.63 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.729 ' HA ' HD13 ' A' ' 47' ' ' LEU . 28.5 mtpp -54.47 -29.85 51.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.57 0.348 . . . . 0.0 110.916 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.29 -14.27 47.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.48 -20.89 19.27 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.963 0.887 . . . . 0.0 108.96 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' ' 44' ' ' LYS . 5.0 mp -68.99 130.45 91.48 Favored Pre-proline 0 N--CA 1.436 -1.127 0 CA-C-N 113.86 -1.518 . . . . 0.0 109.913 170.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.07 163.13 29.87 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.179 1.92 . . . . 0.0 110.894 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.44 -29.85 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.71 117.17 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -103.62 124.83 58.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.85 0.357 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.57 177.39 4.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.9 ttm -58.74 -35.24 72.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.204 0.315 . . . . 0.0 110.96 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -56.1 -49.06 74.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.598 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -68.73 -36.98 79.11 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.773 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 14.6 t-105 -57.14 -48.44 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.77 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 50.1 mt -64.23 -51.18 64.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.247 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.92 -41.19 97.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.085 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 17.6 t80 -61.49 -43.65 98.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.874 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.63 -34.59 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.0 mmmm -66.7 -28.39 68.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.448 0.642 . . . . 0.0 110.325 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -74.85 -42.98 56.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.563 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.065 179.835 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.668 0.271 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.68 -39.3 88.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.194 0.521 . . . . 0.0 110.276 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.4 tpt -67.55 -35.33 78.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.417 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.553 ' HG3' HD22 ' A' ' 57' ' ' LEU . 22.3 tt0 -56.83 -45.31 82.4 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.165 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.8 -38.1 86.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -61.56 -42.37 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.2 m-85 -71.76 -39.4 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 75.9 ttt180 -59.27 -46.38 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.467 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.83 -43.24 85.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.272 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -71.15 -40.56 71.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.29 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.17 -45.87 86.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.551 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.6 mt -59.79 -38.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.34 -46.13 74.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 62.7 m-85 -76.12 -30.05 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.775 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -176.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.16 140.69 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.169 173.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.55 -30.35 65.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.452 -176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.2 p90 -75.75 -30.19 59.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.583 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 mmtp -86.76 -32.59 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.436 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 32' ' ' MET . 62.5 t80 -58.25 -43.98 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.868 -177.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.5 -34.98 79.53 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.965 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.529 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 2.9 mm-40 -66.68 -37.02 83.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.538 0.685 . . . . 0.0 109.736 174.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 22.3 tp -61.15 -38.24 85.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.671 -1.15 . . . . 0.0 112.255 -175.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.12 -31.86 10.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.4 p30 -68.7 -25.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.964 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.92 -24.89 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.508 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.15 5.45 46.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.891 0.377 . . . . 0.0 111.004 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.68 7.29 75.41 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.896 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 80.5 mt -87.72 126.75 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -104.31 129.04 57.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.519 0.675 . . . . 0.0 111.455 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 5.5 tt -135.28 120.76 19.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -86.37 169.55 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 28.1 t-20 -55.12 -47.09 75.51 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.341 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.94 -37.61 80.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 39' ' ' LEU . 47.2 mt-10 -71.76 -47.34 54.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.48 -33.21 73.38 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.21 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 -1.34 57.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.473 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 22.5 mt -79.58 155.3 76.18 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.82 151.77 46.49 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.345 2.03 . . . . 0.0 111.891 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.67 -30.49 71.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.889 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.94 120.32 32.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.8 mt -98.81 118.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.337 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -90.6 162.48 14.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.716 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.582 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.4 ttm -55.82 -36.81 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.661 0.267 . . . . 0.0 110.729 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.03 -38.3 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.209 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -66.63 -42.37 86.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 5.4 t-105 -59.43 -48.23 82.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.784 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 53' ' ' MET . 54.0 mt -62.68 -48.01 81.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 25.3 t-20 -62.21 -43.15 99.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.603 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 10.9 t80 -61.3 -45.69 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.471 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.59 72.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.531 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -69.1 -23.82 64.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 -178.062 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -72.35 -26.29 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.94 179.456 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 33.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.957 0.408 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 13.4 t70 -67.35 -39.84 85.78 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.247 0.546 . . . . 0.0 109.886 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.8 mmm -68.94 -40.19 79.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.83 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 3' ' ' SER . 11.0 pt-20 -64.11 -38.21 90.26 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -175.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 11.9 pt-20 -63.16 -36.68 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mmtp -65.98 -42.66 89.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.923 176.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.1 m-85 -61.08 -40.97 95.7 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.049 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.172 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.4 tt0 -63.28 -44.12 95.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.9 84.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.16 -47.18 84.16 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.19 -41.4 91.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.309 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -57.01 -40.37 76.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.501 . . . . 0.0 110.162 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -77.59 -19.57 55.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.678 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.119 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 51' ' ' ILE . 3.4 tt . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.1 166.99 16.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.559 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -40.49 63.08 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.212 0.32 . . . . 0.0 111.614 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -75.83 -33.44 60.06 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 111.376 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -84.63 -17.83 37.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.628 0.728 . . . . 0.0 110.123 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 76.5 t80 -79.42 -37.8 36.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 11.9 t80 -69.07 -33.29 73.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.077 -175.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.704 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.76 -31.66 72.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.46 -29.41 68.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.669 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.5 ptp -100.88 -30.16 11.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.704 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 6.0 p30 -64.81 -23.53 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.75 -178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -65.37 -28.9 69.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.491 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -92.37 -6.09 50.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.166 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.23 59.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.958 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 36.0 mm -70.46 135.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.653 0.264 . . . . 0.0 110.703 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.3 mt -95.95 115.87 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-O 121.09 0.472 . . . . 0.0 110.334 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 44' ' ' LYS . 54.3 tp -135.4 119.92 18.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -88.88 169.8 11.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.74 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.63 -43.4 98.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.931 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.38 -37.26 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 44.3 mt-10 -68.38 -43.62 76.93 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.627 ' HG2' HD21 ' A' ' 39' ' ' LEU . 21.9 mtpp -56.91 -34.96 68.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.282 176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.45 61.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.92 -12.03 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 18.5 mt -78.01 153.19 80.06 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.17 148.45 91.24 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 111.38 176.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -62.78 -30.55 71.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.22 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -123.07 119.26 29.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 94.4 mt -105.54 138.79 29.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -120.66 -178.91 3.83 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.511 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 46.6 ttm -56.17 -33.45 65.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.68 -49.98 74.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.072 -176.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 69.7 t80 -75.36 -30.11 60.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.486 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.24 -48.77 77.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.837 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.716 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 32.4 mt -65.38 -49.5 69.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.18 0.514 . . . . 0.0 110.013 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.794 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 43.7 t80 -61.16 -43.66 98.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.31 99.76 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.686 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 29.2 mmtp -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.024 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.17 -49.73 70.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.848 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.052 0.453 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 24.9 t70 -70.22 -43.06 71.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.136 0.493 . . . . 0.0 110.515 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 95.1 mmm -67.19 -33.26 75.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.098 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.522 ' HG3' HD11 ' A' ' 57' ' ' LEU . 32.1 tt0 -54.26 -44.84 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.01 -40.9 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.791 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 45.0 mmtm -66.71 -47.36 72.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.813 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 5' ' ' MET . 53.3 m-85 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.608 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.621 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 79.6 ttt180 -58.41 -46.8 85.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.155 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.5 tt0 -68.42 -44.18 75.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.33 -177.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.01 83.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -57.61 -45.25 85.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.8 mt -61.74 -43.64 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.86 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 86.0 mt -62.22 -42.62 99.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.47 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.13 -43.67 42.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.326 -0.437 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.44 -174.171 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -59.69 134.86 57.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.0 mmt -61.61 -34.14 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.927 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -73.05 -35.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 110.553 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -80.67 -28.56 36.75 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 68.5 t80 -60.04 -41.23 91.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.771 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' MET . 31.8 t80 -68.38 -46.5 69.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.937 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.642 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.68 -29.15 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.148 0.499 . . . . 0.0 110.691 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.4 tm? -58.71 -39.01 79.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.131 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.658 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 15.3 ptp -86.59 -30.3 21.95 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.642 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 51.9 m-20 -59.1 -30.82 68.39 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.172 0.51 . . . . 0.0 109.751 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -64.38 -24.95 67.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.533 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.82 1.61 48.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.265 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.29 20.25 64.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.26 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.3 mt -87.9 131.15 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.696 0.284 . . . . 0.0 110.638 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.45 119.97 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HB2' ' SD ' ' A' ' 32' ' ' MET . 56.4 tp -112.25 120.48 41.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -88.08 166.57 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.402 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.22 -33.96 77.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.34 -46.27 87.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.74 -37.87 87.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.443 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HZ3' ' CD2' ' A' ' 39' ' ' LEU . 36.4 mttm -55.71 -40.62 72.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.725 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -15.42 63.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.074 0.464 . . . . 0.0 110.671 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.81 19.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.21 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 8.5 mt -75.99 136.76 69.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.92 153.82 48.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.746 2.297 . . . . 0.0 111.279 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.57 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.863 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.06 115.29 30.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.36 133.87 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.493 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 54' ' ' ASP . 26.1 p-10 -125.81 -174.02 2.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.621 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 45.1 ttm -65.62 -40.42 92.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.437 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.489 ' HB3' HD21 ' A' ' 52' ' ' ASN . 24.1 t70 -59.4 -47.83 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.358 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.75 -42.5 95.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.06 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -59.31 -48.26 82.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.223 0.535 . . . . 0.0 111.072 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD11 ' HG3' ' A' ' 6' ' ' GLU . 10.4 tp -58.92 -50.24 74.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.326 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.97 -40.16 95.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.003 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.57 -41.98 91.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 109.556 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' A' ' 9' ' ' PHE . . . -68.45 -46.38 69.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.157 -177.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -24.59 61.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.416 0.627 . . . . 0.0 111.149 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.06 -49.37 10.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.062 -176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 1.2 p80 . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.249 -172.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptm . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.63 80.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.6 t -60.55 -41.25 94.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.144 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.36 -40.88 94.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 110.409 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.607 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.2 tpt -67.6 -35.79 79.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.172 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HG3' HD22 ' A' ' 57' ' ' LEU . 20.0 tt0 -57.25 -39.94 76.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.124 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 3' ' ' SER . 29.8 mm-40 -57.02 -43.77 82.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -66.53 -37.97 86.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.112 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.6 m-85 -65.57 -40.19 92.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.178 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.599 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 44.4 ttm105 -64.1 -45.25 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.958 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 39.1 tt0 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -67.38 -38.05 84.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 34.7 t80 -57.08 -48.91 77.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.742 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.66 -36.87 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.375 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 91.2 mt -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.664 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HD2' ' O ' ' A' ' 12' ' ' ALA . 29.0 m-85 -76.08 -42.35 47.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.96 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 19' ' ' CYS . 79.9 p -80.39 -17.6 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.974 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 p 69.04 -28.81 0.16 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.976 1.31 . . . . 0.0 112.339 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' H ' ' C ' ' A' ' 17' ' ' SER . 14.5 t -164.98 173.09 11.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.4 p 60.72 177.26 0.1 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.061 0.944 . . . . 0.0 111.877 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.39 6.67 37.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.624 0.726 . . . . 0.0 109.951 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -114.28 145.56 41.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.103 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 21.3 tt -116.82 138.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.05 0.452 . . . . 0.0 110.81 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.21 143.26 58.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.503 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.2 -32.05 73.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.265 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -76.32 -30.99 57.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.539 0.685 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HD3' ' CD ' ' A' ' 30' ' ' GLU . 17.7 tppt? -85.48 -7.99 58.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.846 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.7 t80 -79.46 -44.45 21.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.959 -1.019 . . . . 0.0 112.575 -174.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 26.7 t80 -68.26 -36.2 79.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.704 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.695 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 12.8 pt-20 -66.08 -30.39 70.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.628 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.1 tp -60.63 -34.82 74.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.949 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.655 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 63.0 mtm -88.8 -33.52 17.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.695 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.5 p30 -67.45 -22.84 65.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -64.61 -29.36 70.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.207 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -97.61 -9.71 26.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.65 58.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.318 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.82 126.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.702 0.286 . . . . 0.0 110.314 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.11 142.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.601 . . . . 0.0 111.633 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.85 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -104.31 123.7 47.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.802 -178.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 p -86.5 163.8 17.31 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.947 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.91 -43.89 86.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.745 0.307 . . . . 0.0 110.82 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.61 -40.37 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 37.9 mt-10 -70.67 -43.89 68.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.827 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.85 ' HG2' HD13 ' A' ' 39' ' ' LEU . 17.5 mtpp -56.66 -36.01 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 111.234 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.13 -14.37 61.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.216 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.79 -19.4 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 39' ' ' LEU . 10.3 mt -74.04 137.44 75.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.92 147.82 94.37 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.866 2.377 . . . . 0.0 111.235 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.07 -22.94 67.14 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -115.24 116.7 28.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -106.46 130.44 58.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -109.42 -175.13 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.187 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.681 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 38.2 tpp -60.97 -45.67 93.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.993 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.04 -42.26 98.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.722 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.64 -41.63 96.0 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.735 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.655 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 8.3 t-105 -57.96 -49.04 78.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.811 176.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 62.9 mt -58.95 -49.37 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.855 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.2 -46.24 78.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.887 0.742 . . . . 0.0 111.104 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -60.86 -38.68 86.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.28 0.562 . . . . 0.0 109.551 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.6 -27.88 66.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.431 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 1.2 mmpm? -67.29 -37.48 83.49 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.588 0.708 . . . . 0.0 109.514 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 62' ' ' LYS . 34.5 ttpt -72.4 -47.74 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.543 -175.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -76.38 -33.43 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 110.248 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 0.3 OUTLIER 37.94 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.161 -1.382 . . . . 0.0 112.062 -166.52 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' H ' ' HB3' ' A' ' 64' ' ' TYR . 13.9 t-20 -167.32 32.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.99 0.9 . . . . 0.0 109.021 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -123.68 17.27 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.165 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -56.08 -48.58 75.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.082 0.468 . . . . 0.0 110.053 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -169.66 90.3 0.55 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.29 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.06 130.57 40.98 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.648 2.232 . . . . 0.0 111.576 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 60.22 50.41 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.519 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' A' ' 74' ' ' ASN . 3.1 tmtm? -73.96 108.96 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -104.58 165.11 11.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.841 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 14.1 tt 45.25 47.31 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 112.743 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' HE3' ' A' ' 71' ' ' LYS . 46.7 t30 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.913 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.03 0.443 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.481 ' HB1' ' HE3' ' A' ' 61' ' ' LYS . . . -64.61 -43.55 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.398 -173.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 25.4 t -63.9 -35.86 82.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.709 0.29 . . . . 0.0 110.599 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 20.1 t70 -67.65 -43.11 81.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.104 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.582 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.0 tpt -63.64 -36.88 85.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.513 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 57' ' ' LEU . 26.4 tt0 -60.92 -40.66 94.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.742 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 3' ' ' SER . 51.0 mm-40 -56.65 -48.43 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.221 0.534 . . . . 0.0 110.251 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 1.1 mptm? -59.57 -45.29 92.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.222 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 23.4 m-85 -62.19 -42.55 99.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.936 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.613 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 43.7 ttm105 -60.34 -46.83 88.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.165 0.507 . . . . 0.0 110.957 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.58 -45.31 90.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.351 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.41 78.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.384 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -57.75 -46.93 83.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.051 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.92 -36.33 66.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.368 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -57.78 -45.72 85.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.805 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -76.96 -30.16 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -92.03 10.78 27.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.137 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -22.43 34.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.591 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.06 -65.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.462 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 p -111.89 136.09 51.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -76.62 -19.25 58.02 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.901 0.382 . . . . 0.0 110.604 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -101.72 138.34 38.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 167.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 tt -100.13 126.26 53.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.946 0.879 . . . . 0.0 111.708 -170.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.07 147.68 46.54 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.357 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.523 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 26.3 mmt -55.34 -29.77 58.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.937 -174.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.633 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 30.1 p90 -73.3 -34.87 65.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.063 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 49.0 mmtt -86.13 -22.14 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.332 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' MET . 63.0 t80 -67.61 -45.02 76.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.963 -176.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 32' ' ' MET . 13.4 t80 -69.48 -39.68 77.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.022 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.03 -30.53 71.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 32.1 tp -60.65 -34.44 74.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.609 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 65.1 mtm -89.1 -34.67 16.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -21.46 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.8 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.1 m -66.28 -34.27 77.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -91.51 -1.89 57.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.18 21.64 62.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.53 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' CE1' ' A' ' 63' ' ' HIS . 92.9 mt -88.75 125.88 41.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 pt -105.98 144.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 0.0 110.651 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 47' ' ' LEU . 1.9 tt -135.94 121.05 18.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -80.15 162.75 24.56 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.458 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.38 -38.41 91.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.653 0.263 . . . . 0.0 110.84 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.67 -40.53 97.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.02 -38.52 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.738 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.601 ' HG3' HD22 ' A' ' 39' ' ' LEU . 23.1 mtpp -56.71 -38.1 71.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 111.444 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.83 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.839 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.57 -6.95 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 39' ' ' LEU . 21.5 mt -78.53 153.08 78.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.162 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.72 147.51 87.6 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.91 2.407 . . . . 0.0 111.918 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -66.27 -24.6 66.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.091 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -127.08 119.25 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -105.22 127.47 59.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.3 -179.27 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.613 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 50.1 ttm -56.52 -33.59 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.549 0.214 . . . . 0.0 111.313 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.68 -50.16 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -75.06 -30.32 60.96 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.619 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.609 ' CZ3' ' HG2' ' A' ' 32' ' ' MET . 11.2 t-105 -57.83 -48.99 78.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.794 0.33 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.814 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 43.5 mt -65.03 -49.86 68.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.522 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -54.57 -48.85 71.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.242 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.0 97.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -61.71 -42.76 99.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.693 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 12.8 mmmm -69.27 -29.48 67.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.569 0.7 . . . . 0.0 110.223 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -81.87 -48.37 11.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.368 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.451 ' CE1' HG12 ' A' ' 37' ' ' ILE . 1.6 p80 -66.07 -30.95 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 -174.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -105.14 -161.75 0.83 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.11 -177.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 t30 67.86 32.62 5.14 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 122.393 1.092 . . . . 0.0 109.31 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -92.09 144.32 25.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.096 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 43.4 mt-10 -100.89 -3.29 30.0 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.15 0.5 . . . . 0.0 110.356 -177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -110.67 92.61 14.67 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.609 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 15.0 Cg_exo -68.95 100.52 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.787 2.324 . . . . 0.0 111.722 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -79.25 62.83 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.609 0.718 . . . . 0.0 111.412 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -86.68 9.1 19.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.548 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -84.42 -17.31 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.222 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 tp -101.99 -39.76 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.279 0.561 . . . . 0.0 109.721 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 t30 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.444 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.79 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.44 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 36.5 m -63.23 -33.9 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.38 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.52 -45.5 62.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.202 0.525 . . . . 0.0 109.698 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.649 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HG3' HD22 ' A' ' 57' ' ' LEU . 35.1 tt0 -56.63 -40.92 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.291 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 3' ' ' SER . 51.3 mt-10 -66.29 -38.61 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.549 . . . . 0.0 110.145 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.42 -44.17 83.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.312 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -62.21 -34.15 75.93 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.405 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 71.8 ttt180 -57.72 -47.45 82.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.483 . . . . 0.0 110.26 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 36.4 tt0 -69.81 -44.52 69.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.064 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.8 90.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.444 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 23' ' ' ILE . 57.7 t80 -58.07 -44.85 87.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.75 -36.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.983 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 83.0 mt -60.54 -47.13 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.336 . . . . 0.0 110.838 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -77.23 -30.32 54.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 t -97.0 4.42 51.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 71.98 -68.75 0.21 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 111.344 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.3 m -146.98 -34.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.963 0.411 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -63.9 138.24 58.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.203 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.87 -14.42 58.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -98.15 129.18 44.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 13' ' ' PHE . 19.9 tt -104.18 133.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.292 0.568 . . . . 0.0 112.011 -171.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.16 136.21 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.379 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.02 69.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.921 -173.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.462 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.3 p90 -72.79 -30.67 64.28 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.419 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 35.6 mmtt -86.29 -16.82 36.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 63.4 t80 -69.25 -45.15 70.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.434 -172.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -69.84 -44.05 70.7 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.89 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 11.1 pt-20 -64.26 -30.8 71.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.627 176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.8 tm? -60.07 -39.59 86.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.441 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.482 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 13.8 ptp -89.07 -31.26 18.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -21.65 65.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.082 -0.647 . . . . 0.0 109.697 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.9 t -64.09 -25.0 67.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -97.54 8.14 45.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.59 7.26 88.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.571 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.3 mt -86.65 134.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 110.332 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 pt -108.09 150.05 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 0.0 111.405 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -123.25 123.7 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.871 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.5 p -88.94 163.18 15.7 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.859 -0.737 . . . . 0.0 111.872 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.81 -42.74 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.14 -41.23 87.78 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.047 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.42 -49.08 52.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.614 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.824 ' HG2' HD13 ' A' ' 39' ' ' LEU . 25.3 mtpp -56.57 -39.66 73.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 111.569 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.24 -15.1 63.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.26 0.81 18.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.892 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 39' ' ' LEU . 20.3 mt -84.19 147.95 51.9 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.15 143.64 96.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.619 2.212 . . . . 0.0 111.503 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.81 -32.02 73.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.627 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -115.02 116.51 28.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.03 127.43 61.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.85 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -99.08 167.72 10.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.435 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.547 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.7 ttm -55.21 -34.39 63.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.579 0.228 . . . . 0.0 111.374 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.32 -42.66 82.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.565 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.06 -34.61 73.42 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.422 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -59.0 -48.7 80.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.412 . . . . 0.0 110.441 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 53' ' ' MET . 40.0 mt -58.82 -48.12 82.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.885 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.92 -44.75 95.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.785 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -62.67 -45.9 90.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.368 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.74 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -69.89 -23.54 63.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -178.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -70.35 -31.42 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -70.86 -30.47 66.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.098 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -138.71 73.33 1.43 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.677 . . . . 0.0 111.702 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 13.7 t-20 -119.8 29.05 7.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.175 0.988 . . . . 0.0 109.036 175.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -90.4 50.37 1.83 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.912 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.75 -48.53 69.6 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.773 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -132.33 88.42 39.9 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.125 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.86 104.0 0.36 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.111 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.85 -53.91 10.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.209 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm 60.24 -89.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.5 m170 65.15 175.64 0.21 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.378 0.671 . . . . 0.0 112.142 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.6 tt 44.59 44.46 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 122.365 1.078 . . . . 0.0 111.332 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.096 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 33.9 tpp . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.072 0.463 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.89 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.919 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.018 0.437 . . . . 0.0 110.928 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.516 ' H ' ' HG3' ' A' ' 1' ' ' MET . 32.2 t70 -73.07 -35.72 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 109.964 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.3 tpt -67.01 -41.26 86.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.633 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 11.7 pt-20 -63.82 -36.5 84.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.995 0.426 . . . . 0.0 110.491 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.88 -36.74 84.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 4' ' ' ASP . 54.7 mtpt -60.24 -38.84 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.581 0.229 . . . . 0.0 110.484 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 23.6 m-85 -62.08 -43.55 98.58 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 14' ' ' ILE . 55.2 ttt180 -60.7 -46.71 89.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.54 -43.83 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.371 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.47 70.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.77 -41.17 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.514 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 10' ' ' ARG . 81.8 mt -60.11 -36.5 68.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.0 110.432 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.64 -47.62 77.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' A' ' 21' ' ' ASP . 3.7 m-85 -76.79 -44.95 30.72 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.661 ' C ' ' HB2' ' A' ' 21' ' ' ASP . 66.2 m -109.33 12.82 24.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -168.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.517 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 15.5 m -7.96 -80.56 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.444 1.498 . . . . 0.0 114.855 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 21' ' ' ASP . 4.7 p -130.59 -82.8 0.54 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.215 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.8 m -86.2 29.05 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.757 1.265 . . . . 0.0 108.733 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.661 ' HB2' ' C ' ' A' ' 17' ' ' SER . 6.3 m-20 -105.24 19.27 20.89 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.56 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -76.49 145.26 39.29 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 121.666 0.746 . . . . 0.0 109.579 -164.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 27' ' ' LYS . 10.3 tt -99.53 127.06 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 114.512 -1.222 . . . . 0.0 113.413 -147.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.4 162.26 27.37 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.526 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.86 -32.01 71.45 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.86 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -72.77 -39.03 67.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.575 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' O ' HD11 ' A' ' 23' ' ' ILE . 4.1 tmtm? -83.51 -12.29 56.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.131 0.967 . . . . 0.0 109.44 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 48.3 t80 -79.11 -33.54 44.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.588 -175.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 39' ' ' LEU . 3.4 t80 -70.01 -33.92 72.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.388 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.77 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 7.2 pt-20 -66.1 -30.12 70.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.629 177.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 49.4 tp -63.1 -38.2 90.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 173.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.4 ptp -91.98 -31.17 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.77 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 7.6 p30 -67.14 -22.97 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.257 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -66.3 -24.8 66.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.828 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -97.56 -8.32 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.999 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.09 19.97 60.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.466 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.84 137.19 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.6 pt -110.24 150.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.983 0.42 . . . . 0.0 110.734 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.891 HD13 ' HG2' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -121.6 129.47 52.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.115 -175.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -91.05 162.39 14.72 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.196 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.47 -42.44 92.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.661 0.267 . . . . 0.0 111.044 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -59.86 -40.8 89.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.6 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.53 -47.01 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.891 ' HG2' HD13 ' A' ' 39' ' ' LEU . 27.8 mtpp -56.56 -41.5 76.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.477 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -15.29 63.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.929 0.395 . . . . 0.0 111.227 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.19 29.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 39' ' ' LEU . 12.6 mt -88.18 147.7 41.03 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.747 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.71 161.22 39.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.996 2.464 . . . . 0.0 111.568 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.34 -24.39 62.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 8.0 p-10 -132.21 119.66 21.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.411 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 1.9 mp -83.88 130.73 35.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.673 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -103.6 -179.63 4.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.6 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.552 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 37.5 ttm -64.33 -44.31 91.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.662 -174.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -60.05 -38.24 82.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.887 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' HE1' HD22 ' A' ' 47' ' ' LEU . 25.9 t80 -75.28 -42.15 55.58 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.508 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -57.15 -48.54 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.558 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 53' ' ' MET . 30.1 mt -64.74 -50.64 66.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.988 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -62.37 -39.7 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.902 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.39 -42.9 96.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.551 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.73 77.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.3 mmmt -68.13 -24.39 65.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 122.025 0.917 . . . . 0.0 110.248 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.01 -31.46 70.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.506 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -77.4 -30.41 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.777 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 168.2 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.408 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.16 33.62 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.912 0.863 . . . . 0.0 109.403 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -98.35 48.29 0.99 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.95 0.881 . . . . 0.0 110.335 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -85.03 -35.33 21.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.714 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 57.04 71.31 1.15 Allowed Pre-proline 0 CA--C 1.534 0.342 0 O-C-N 123.735 0.647 . . . . 0.0 111.011 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.38 126.48 3.65 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.533 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -89.75 42.06 1.07 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -90.21 81.95 6.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.42 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -96.44 -86.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.19 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 73' ' ' ILE . 2.5 pp -103.4 -17.2 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.775 0.321 . . . . 0.0 111.599 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.744 178.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.71 70.08 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -166.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 46.9 t -62.05 -42.51 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.676 0.274 . . . . 0.0 111.657 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.97 -31.26 66.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.508 0.67 . . . . 0.0 110.223 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 9' ' ' PHE . 13.6 tpt -69.33 -43.23 74.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.571 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 12.3 pt-20 -63.85 -37.9 89.1 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.21 -36.01 78.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.259 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.2 -35.93 81.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.774 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.8 m-85 -66.84 -41.14 87.88 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 62.5 ttt180 -57.75 -46.09 84.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.702 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.13 -44.33 76.33 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.86 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.59 86.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.676 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.92 -42.71 85.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.261 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -63.88 -43.46 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.921 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.09 -47.27 83.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.744 0.307 . . . . 0.0 111.464 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.74 -36.19 75.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -84.72 -18.49 35.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.668 0.271 . . . . 0.0 110.747 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.9 m 67.54 -73.14 0.08 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.9 m -142.2 41.44 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.27 0.557 . . . . 0.0 109.907 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -134.28 147.41 50.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.346 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.98 -13.97 37.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.424 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 58.0 m170 -122.18 141.59 51.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.625 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp -101.7 134.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.28 0.562 . . . . 0.0 111.085 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.8 142.3 56.24 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.307 175.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.98 -31.4 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.036 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -75.92 -41.23 52.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.172 0.51 . . . . 0.0 110.221 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -79.58 -23.87 42.43 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 121.855 0.836 . . . . 0.0 109.674 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' HG3' ' A' ' 32' ' ' MET . 49.3 t80 -68.25 -39.78 82.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.461 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.614 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.705 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.1 pt-20 -67.04 -32.29 73.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.902 0.382 . . . . 0.0 110.398 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.3 tp -61.79 -38.31 87.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.318 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.3 -30.09 11.69 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.705 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.9 p30 -67.22 -25.06 65.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.753 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -67.22 -27.99 67.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.685 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -87.45 1.2 54.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.02 72.11 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -75.88 129.2 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.9 mt -95.51 115.33 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 47' ' ' LEU . 3.1 tt -133.42 120.42 20.89 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -90.09 169.42 11.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.17 -36.73 84.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.098 0.475 . . . . 0.0 110.16 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.48 -40.11 85.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.585 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -39.24 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.743 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 29.0 mmmt -55.97 -34.79 66.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.645 0.26 . . . . 0.0 111.525 174.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.041 0.448 . . . . 0.0 110.794 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.53 -18.97 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 39' ' ' LEU . 1.5 mt -69.4 126.89 92.97 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.606 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 149.0 81.4 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.757 2.305 . . . . 0.0 111.649 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -64.0 -25.98 68.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.871 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -114.49 115.5 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 170.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 68.8 mt -105.58 120.81 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.357 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' C ' HD22 ' A' ' 52' ' ' ASN . 0.2 OUTLIER -109.16 -178.25 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.653 0.263 . . . . 0.0 111.609 176.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 44.9 tpp -56.61 -44.98 81.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.743 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.22 -46.09 75.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.762 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -71.41 -41.03 70.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.239 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 10.0 t-105 -57.41 -49.08 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.43 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.1 mt -63.88 -49.23 73.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.059 0.457 . . . . 0.0 110.35 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.26 -40.47 90.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.833 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.86 -45.67 92.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.002 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -44.95 72.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -71.3 -23.12 61.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.821 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 6.4 ttpm? -74.03 -22.23 59.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.253 0.549 . . . . 0.0 110.845 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.02 -28.64 57.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.463 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -145.18 80.63 1.61 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.354 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.74 70.58 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.543 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -77.39 52.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.255 0.55 . . . . 0.0 110.697 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.81 -32.01 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.804 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -163.22 102.94 0.99 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.873 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.9 65.46 8.92 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.708 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -87.07 72.74 9.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.868 0.842 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -63.09 -16.43 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.119 -174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.476 ' CD2' HG13 ' A' ' 73' ' ' ILE . 24.0 p-80 -67.58 -10.74 54.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.696 0.284 . . . . 0.0 111.389 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG13 ' CD2' ' A' ' 72' ' ' HIS . 51.8 mt -124.86 88.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.337 -0.84 . . . . 0.0 109.948 -179.432 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.78 76.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.693 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 12.1 p -67.72 -34.43 76.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.895 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.77 -38.66 70.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.024 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 13.5 tpt -68.55 -39.05 81.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.716 -177.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 3' ' ' SER . 12.2 pt-20 -59.38 -37.64 78.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.529 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 -37.59 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.638 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.39 -33.95 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.694 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 68.8 m-85 -72.37 -38.0 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.986 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HA ' ' SD ' ' A' ' 53' ' ' MET . 75.8 ttt180 -57.95 -46.1 85.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.231 0.539 . . . . 0.0 110.199 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.5 tt0 -59.07 -43.69 91.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.648 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' O ' ' HD1' ' A' ' 16' ' ' PHE . . . -67.36 -39.64 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -57.75 -41.65 82.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.905 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 70.3 mt -60.91 -43.6 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.983 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 11' ' ' GLU . 4.4 mm? -67.22 -47.81 69.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.666 0.269 . . . . 0.0 111.696 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' HD1' ' O ' ' A' ' 12' ' ' ALA . 45.0 m-85 -71.33 -35.89 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 20' ' ' SER . 9.0 t -85.73 -19.63 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.912 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.5 m 69.87 -67.76 0.22 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.589 0.755 . . . . 0.0 112.23 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -152.6 32.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.603 0.716 . . . . 0.0 109.802 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HB2' ' OG ' ' A' ' 17' ' ' SER . 40.8 m -118.88 156.99 28.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -90.53 -39.1 12.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.104 0.478 . . . . 0.0 110.562 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -112.03 145.58 39.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.917 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.3 tt -103.81 128.92 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.359 0.6 . . . . 0.0 111.194 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -58.52 138.61 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.049 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 49' ' ' ASN . 97.5 mtp -63.83 -28.69 70.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.837 -175.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -70.15 -31.59 69.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.06 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -85.18 -25.27 27.5 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.926 0.87 . . . . 0.0 109.755 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE1' ' HG2' ' A' ' 32' ' ' MET . 80.3 t80 -56.12 -44.59 79.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.953 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -63.0 -39.66 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.712 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.4 pt-20 -66.8 -32.4 73.66 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.533 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.2 tp -63.26 -36.62 84.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.719 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 3.6 ppp? -102.07 -31.49 10.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -170.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.712 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.0 p30 -68.12 -23.93 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.846 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -62.42 -32.54 73.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.983 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.99 -1.33 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.046 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.07 13.38 62.19 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.051 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.71 132.55 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.94 0.4 . . . . 0.0 110.269 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 pt -114.76 151.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.864 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.642 HD13 ' HG2' ' A' ' 44' ' ' LYS . 8.8 mt -122.37 144.06 49.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 15.6 p -91.18 167.42 12.35 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 175.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -58.18 -46.99 84.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.99 0.424 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.421 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.87 -46.98 87.04 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.58 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HG2' HD13 ' A' ' 39' ' ' LEU . 21.5 mtpp -56.89 -42.71 80.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.326 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.61 -18.21 61.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.53 -8.29 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.56 144.75 74.27 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.89 140.97 97.55 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.252 1.968 . . . . 0.0 110.704 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 49.1 m-80 -63.95 -26.76 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -114.27 116.4 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 170.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.6 mt -104.97 129.33 57.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -108.72 171.76 7.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.035 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 10' ' ' ARG . 30.8 tpp -55.82 -37.72 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.097 0.475 . . . . 0.0 110.47 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.83 -49.33 75.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.443 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -70.81 -34.28 71.57 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.382 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.482 ' NE1' ' HB3' ' A' ' 9' ' ' PHE . 9.2 t-105 -57.35 -48.94 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 111.624 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 53' ' ' MET . 45.9 mt -63.14 -47.05 84.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 0.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 44.7 t-20 -63.53 -42.08 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.117 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 39' ' ' LEU . 16.8 t80 -61.27 -46.4 90.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.337 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.876 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -70.06 -22.94 63.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.918 -178.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -73.42 -34.1 65.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.088 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -69.59 -29.95 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 61' ' ' LYS . 23.2 p90 -114.98 35.77 4.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.514 0.673 . . . . 0.0 110.875 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -89.43 69.55 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 175.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -118.64 155.67 30.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.904 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -86.37 4.54 38.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.198 0.523 . . . . 0.0 111.257 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.63 72.83 0.26 Allowed Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.69 175.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -90.7 163.38 4.18 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.656 2.237 . . . . 0.0 111.306 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -83.16 49.48 1.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.326 0.584 . . . . 0.0 109.912 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -80.48 72.52 7.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.161 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -97.37 -6.59 33.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.95 -8.87 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.201 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.962 177.426 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' HA ' ' OH ' ' A' ' 64' ' ' TYR . . . -60.19 -34.84 74.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.203 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 18.6 t -66.31 -40.91 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 110.164 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 14.6 t70 -66.45 -35.38 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.282 0.563 . . . . 0.0 110.094 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 12.9 tpt -64.46 -41.81 96.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.169 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG3' HD22 ' A' ' 57' ' ' LEU . 25.3 tt0 -60.55 -39.51 88.18 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 17.2 mm-40 -58.08 -49.45 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 75.1 mmtt -60.84 -41.79 96.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.277 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.1 m-85 -59.37 -37.29 77.53 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.659 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 41.6 ttp-105 -63.5 -47.55 81.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 19.8 mt-10 -63.79 -43.75 95.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.152 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.1 86.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.24 -45.91 91.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.47 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 10' ' ' ARG . 87.6 mt -59.9 -40.24 82.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.023 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -56.8 -48.08 78.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.774 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -77.04 -35.28 56.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.514 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -86.51 -0.04 55.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 t -68.17 72.7 0.19 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.424 0.631 . . . . 0.0 110.858 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.9 t -174.87 -40.4 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.78 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -137.42 175.88 9.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.206 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.38 -34.23 21.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.351 0.595 . . . . 0.0 110.279 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 38.4 m80 -107.39 157.59 17.85 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -101.91 127.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.62 149.51 42.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.76 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.81 -29.17 59.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.498 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -76.36 -35.26 58.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.241 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -83.06 -33.34 26.45 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.88 0.848 . . . . 0.0 109.711 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' ' HG3' ' A' ' 32' ' ' MET . 56.7 t80 -62.76 -44.82 95.2 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.477 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.956 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 10.0 pt-20 -66.67 -31.77 72.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.7 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 16.4 tp -63.04 -39.82 95.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.096 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -98.26 -29.36 13.23 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.696 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 4.8 p30 -66.02 -25.06 66.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.207 176.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -66.27 -24.94 66.65 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.31 5.62 48.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.55 12.13 83.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.237 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -81.68 128.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.677 0.275 . . . . 0.0 110.323 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 pt -97.12 130.74 45.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.258 0.551 . . . . 0.0 111.145 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 47' ' ' LEU . 4.7 tt -136.25 119.57 16.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.044 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 16.7 p -90.47 171.23 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.92 -40.36 88.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.663 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.7 -45.59 91.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.03 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.55 -37.31 85.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.63 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.729 ' HA ' HD13 ' A' ' 47' ' ' LEU . 28.5 mtpp -54.47 -29.85 51.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.57 0.348 . . . . 0.0 110.916 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.29 -14.27 47.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.48 -20.89 19.27 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.963 0.887 . . . . 0.0 108.96 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' ' 44' ' ' LYS . 5.0 mp -68.99 130.45 91.48 Favored Pre-proline 0 N--CA 1.436 -1.127 0 CA-C-N 113.86 -1.518 . . . . 0.0 109.913 170.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.07 163.13 29.87 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.179 1.92 . . . . 0.0 110.894 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.44 -29.85 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 8.4 m-20 -111.71 117.17 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -103.62 124.83 58.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.85 0.357 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.57 177.39 4.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 48.9 ttm -58.74 -35.24 72.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.204 0.315 . . . . 0.0 110.96 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -56.1 -49.06 74.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.598 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -68.73 -36.98 79.11 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.773 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 14.6 t-105 -57.14 -48.44 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.77 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 50.1 mt -64.23 -51.18 64.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.247 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.92 -41.19 97.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.085 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 17.6 t80 -61.49 -43.65 98.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.874 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.63 -34.59 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 13.0 mmmm -66.7 -28.39 68.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.448 0.642 . . . . 0.0 110.325 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -74.85 -42.98 56.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.563 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -71.72 -25.47 62.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.065 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.583 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -29.39 125.72 0.12 Allowed 'General case' 0 C--O 1.234 0.281 0 O-C-N 124.616 1.197 . . . . 0.0 113.072 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -96.31 92.93 6.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.741 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -129.88 139.19 51.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 2.6 mp0 -50.28 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.567 0.542 . . . . 0.0 112.205 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -157.61 130.85 4.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.673 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.99 144.51 27.2 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.645 2.23 . . . . 0.0 111.907 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -118.57 46.33 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 0.0 110.102 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -101.47 59.34 0.88 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.313 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.99 25.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.216 -173.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.68 -20.14 8.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 . . . . . 0 C--O 1.245 0.831 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.893 178.318 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.51 68.21 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -62.81 -47.81 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.511 -176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.68 -39.3 88.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.194 0.521 . . . . 0.0 110.276 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.4 tpt -67.55 -35.33 78.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.417 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' HG3' HD22 ' A' ' 57' ' ' LEU . 22.3 tt0 -56.83 -45.31 82.4 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.165 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.8 -38.1 86.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -61.56 -42.37 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.2 m-85 -71.76 -39.4 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 75.9 ttt180 -59.27 -46.38 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.467 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -57.83 -43.24 85.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.272 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' HD2' ' A' ' 16' ' ' PHE . . . -71.15 -40.56 71.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.29 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.17 -45.87 86.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.551 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.6 mt -59.79 -38.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.34 -46.13 74.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 62.7 m-85 -76.12 -30.05 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.775 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 m -90.58 -16.26 29.07 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t 66.84 66.65 0.43 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.624 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m 55.31 52.11 11.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.309 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -142.83 162.46 35.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.098 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.633 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 5.4 p-10 -98.56 1.53 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.105 177.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.45 136.64 54.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 tp -113.67 134.91 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 111.372 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.16 140.69 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.169 173.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.55 -30.35 65.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.452 -176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 3.2 p90 -75.75 -30.19 59.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.583 -177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 mmtp -86.76 -32.59 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.436 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 32' ' ' MET . 62.5 t80 -58.25 -43.98 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.868 -177.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.5 -34.98 79.53 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.965 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.529 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 2.9 mm-40 -66.68 -37.02 83.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.538 0.685 . . . . 0.0 109.736 174.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 22.3 tp -61.15 -38.24 85.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.671 -1.15 . . . . 0.0 112.255 -175.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -101.12 -31.86 10.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 3.4 p30 -68.7 -25.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.964 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.92 -24.89 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.508 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.15 5.45 46.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.891 0.377 . . . . 0.0 111.004 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.68 7.29 75.41 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.896 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 80.5 mt -87.72 126.75 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -104.31 129.04 57.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.519 0.675 . . . . 0.0 111.455 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 5.5 tt -135.28 120.76 19.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -86.37 169.55 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 28.1 t-20 -55.12 -47.09 75.51 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.341 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.94 -37.61 80.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 39' ' ' LEU . 47.2 mt-10 -71.76 -47.34 54.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.48 -33.21 73.38 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.21 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 -1.34 57.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.473 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 22.5 mt -79.58 155.3 76.18 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.82 151.77 46.49 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.345 2.03 . . . . 0.0 111.891 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.67 -30.49 71.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.889 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.94 120.32 32.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.8 mt -98.81 118.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.337 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.2 t-20 -90.6 162.48 14.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.716 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.582 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.4 ttm -55.82 -36.81 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.661 0.267 . . . . 0.0 110.729 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.03 -38.3 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.209 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -66.63 -42.37 86.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 5.4 t-105 -59.43 -48.23 82.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.784 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 53' ' ' MET . 54.0 mt -62.68 -48.01 81.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 25.3 t-20 -62.21 -43.15 99.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.603 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 10.9 t80 -61.3 -45.69 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.471 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.59 72.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.531 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.661 ' HA ' ' CE2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.1 -23.82 64.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 -178.062 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -72.35 -26.29 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -77.78 -28.17 50.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.94 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.661 ' CE2' ' HA ' ' A' ' 61' ' ' LYS . 15.0 m-85 -54.8 -43.51 72.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.497 0.665 . . . . 0.0 110.166 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -79.84 3.26 20.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.674 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 64' ' ' TYR . 8.6 m-85 46.84 55.27 8.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.94 -1.936 . . . . 0.0 112.706 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.09 -35.11 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.831 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -133.8 89.95 28.82 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.941 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.85 112.06 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.312 2.674 . . . . 0.0 112.368 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -101.11 19.0 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.028 -173.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.9 -30.33 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 66.3 m80 65.78 -79.83 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.798 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -139.18 160.43 29.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.683 -0.675 . . . . 0.0 109.586 174.743 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.927 0.394 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.54 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.609 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 33.2 t -64.54 -36.78 85.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.32 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 13.4 t70 -67.35 -39.84 85.78 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.247 0.546 . . . . 0.0 109.886 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.8 mmm -68.94 -40.19 79.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.83 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 3' ' ' SER . 11.0 pt-20 -64.11 -38.21 90.26 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -175.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 11.9 pt-20 -63.16 -36.68 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mmtp -65.98 -42.66 89.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.923 176.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 21.1 m-85 -61.08 -40.97 95.7 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.049 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.172 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.4 tt0 -63.28 -44.12 95.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -36.9 84.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.16 -47.18 84.16 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.19 -41.4 91.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.309 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 95.9 mt -57.01 -40.37 76.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.501 . . . . 0.0 110.162 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -77.59 -19.57 55.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.678 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.778 ' HA ' ' CB ' ' A' ' 21' ' ' ASP . 67.7 m -108.05 12.87 26.53 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -47.67 -27.42 1.91 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.3 p -123.54 -144.29 0.33 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.808 0.731 . . . . 0.0 111.549 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -73.0 74.81 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.371 1.082 . . . . 0.0 109.247 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.778 ' CB ' ' HA ' ' A' ' 17' ' ' SER . 16.6 m-20 -107.52 21.51 17.36 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 113.74 -1.573 . . . . 0.0 114.568 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -76.68 126.46 31.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 51' ' ' ILE . 3.4 tt -100.71 128.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -141.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.1 166.99 16.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.559 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -40.49 63.08 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.212 0.32 . . . . 0.0 111.614 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -75.83 -33.44 60.06 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 111.376 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -84.63 -17.83 37.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.628 0.728 . . . . 0.0 110.123 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 76.5 t80 -79.42 -37.8 36.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 11.9 t80 -69.07 -33.29 73.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.077 -175.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.704 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.76 -31.66 72.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.46 -29.41 68.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.669 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.5 ptp -100.88 -30.16 11.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.704 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 6.0 p30 -64.81 -23.53 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.75 -178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -65.37 -28.9 69.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.491 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -92.37 -6.09 50.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.166 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.23 59.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.958 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 36.0 mm -70.46 135.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.653 0.264 . . . . 0.0 110.703 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.3 mt -95.95 115.87 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-O 121.09 0.472 . . . . 0.0 110.334 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 44' ' ' LYS . 54.3 tp -135.4 119.92 18.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -88.88 169.8 11.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.74 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.63 -43.4 98.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.931 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.38 -37.26 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 44.3 mt-10 -68.38 -43.62 76.93 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.627 ' HG2' HD21 ' A' ' 39' ' ' LEU . 21.9 mtpp -56.91 -34.96 68.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.282 176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.45 61.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.92 -12.03 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 18.5 mt -78.01 153.19 80.06 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.17 148.45 91.24 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 111.38 176.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -62.78 -30.55 71.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.22 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -123.07 119.26 29.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 23' ' ' ILE . 94.4 mt -105.54 138.79 29.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -120.66 -178.91 3.83 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.511 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 46.6 ttm -56.17 -33.45 65.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.68 -49.98 74.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.072 -176.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 69.7 t80 -75.36 -30.11 60.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.486 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.24 -48.77 77.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.837 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.716 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 32.4 mt -65.38 -49.5 69.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.18 0.514 . . . . 0.0 110.013 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.794 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.61 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 43.7 t80 -61.16 -43.66 98.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.31 99.76 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.686 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 29.2 mmtp -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.024 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.17 -49.73 70.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -28.13 58.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.7 -89.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.531 1.144 . . . . 0.0 113.799 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.08 34.93 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.402 0.62 . . . . 0.0 110.359 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.487 ' HD1' ' O ' ' A' ' 61' ' ' LYS . 68.8 m-85 -125.67 143.47 51.02 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.974 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.76 -158.5 0.6 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.114 0.483 . . . . 0.0 110.261 -172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 48.87 69.72 2.53 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.84 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.44 55.22 5.57 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.766 2.31 . . . . 0.0 112.418 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HA ' ' CE1' ' A' ' 72' ' ' HIS . 7.1 p90 -81.91 -163.78 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.591 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 62.62 44.77 6.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 122.158 0.98 . . . . 0.0 109.466 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 70' ' ' PHE . 12.3 p-80 -124.11 -4.89 7.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.115 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.5 tt -164.16 -32.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.676 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.326 0.584 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.41 75.52 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.63 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -63.23 -37.89 89.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.052 0.453 . . . . 0.0 110.885 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 24.9 t70 -70.22 -43.06 71.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.136 0.493 . . . . 0.0 110.515 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 95.1 mmm -67.19 -33.26 75.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.098 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' HG3' HD11 ' A' ' 57' ' ' LEU . 32.1 tt0 -54.26 -44.84 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.01 -40.9 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.791 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 45.0 mmtm -66.71 -47.36 72.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.813 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 5' ' ' MET . 53.3 m-85 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.608 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.621 ' HG3' ' SD ' ' A' ' 53' ' ' MET . 79.6 ttt180 -58.41 -46.8 85.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.155 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 35.5 tt0 -68.42 -44.18 75.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.33 -177.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.01 83.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -57.61 -45.25 85.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.8 mt -61.74 -43.64 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.86 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 86.0 mt -62.22 -42.62 99.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.47 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.13 -43.67 42.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -83.41 -19.75 35.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.44 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m 61.98 13.39 5.58 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.039 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.4 m -143.34 -148.4 0.24 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.41 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -155.8 -47.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.922 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.56 -18.03 42.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.707 -175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -144.52 150.16 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.713 0.292 . . . . 0.0 111.491 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 tt -139.85 138.3 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.698 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -59.69 134.86 57.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.0 mmt -61.61 -34.14 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.927 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -73.05 -35.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 110.553 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -80.67 -28.56 36.75 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 68.5 t80 -60.04 -41.23 91.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.771 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' MET . 31.8 t80 -68.38 -46.5 69.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.937 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.642 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 9.8 pt-20 -66.68 -29.15 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.148 0.499 . . . . 0.0 110.691 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 1.4 tm? -58.71 -39.01 79.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.131 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.658 ' SD ' ' HB2' ' A' ' 39' ' ' LEU . 15.3 ptp -86.59 -30.3 21.95 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.642 ' ND2' ' HA ' ' A' ' 30' ' ' GLU . 51.9 m-20 -59.1 -30.82 68.39 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.172 0.51 . . . . 0.0 109.751 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -64.38 -24.95 67.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.533 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.82 1.61 48.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.265 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.29 20.25 64.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.26 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.3 mt -87.9 131.15 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.696 0.284 . . . . 0.0 110.638 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.45 119.97 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.658 ' HB2' ' SD ' ' A' ' 32' ' ' MET . 56.4 tp -112.25 120.48 41.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -88.08 166.57 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.402 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.22 -33.96 77.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.34 -46.27 87.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.74 -37.87 87.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.443 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HZ3' ' CD2' ' A' ' 39' ' ' LEU . 36.4 mttm -55.71 -40.62 72.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.725 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -15.42 63.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.074 0.464 . . . . 0.0 110.671 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.81 19.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.21 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 44' ' ' LYS . 8.5 mt -75.99 136.76 69.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.92 153.82 48.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.746 2.297 . . . . 0.0 111.279 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.57 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.863 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.06 115.29 30.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -106.36 133.87 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.493 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 54' ' ' ASP . 26.1 p-10 -125.81 -174.02 2.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.621 ' SD ' ' HG3' ' A' ' 10' ' ' ARG . 45.1 ttm -65.62 -40.42 92.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.437 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.489 ' HB3' HD21 ' A' ' 52' ' ' ASN . 24.1 t70 -59.4 -47.83 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.358 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.75 -42.5 95.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.06 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -59.31 -48.26 82.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.223 0.535 . . . . 0.0 111.072 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD11 ' HG3' ' A' ' 6' ' ' GLU . 10.4 tp -58.92 -50.24 74.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.326 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.97 -40.16 95.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.003 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.57 -41.98 91.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 109.556 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' A' ' 9' ' ' PHE . . . -68.45 -46.38 69.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.157 -177.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -71.66 -24.59 61.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.416 0.627 . . . . 0.0 111.149 -178.332 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.06 -49.37 10.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.062 -176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 1.2 p80 -65.03 -29.73 70.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.249 -172.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -106.19 -174.14 2.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.871 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 60.3 51.61 5.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.935 0.874 . . . . 0.0 110.191 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -104.55 111.89 24.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.47 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.85 -31.26 56.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.435 0.636 . . . . 0.0 109.873 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.16 98.39 10.34 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.22 1.947 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -81.48 65.62 6.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 74' ' ' ASN . 32.2 mmtp -67.99 -65.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.798 -177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.9 m80 52.75 79.04 0.12 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.674 0.609 . . . . 0.0 110.851 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.6 mt 67.15 76.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.822 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 71' ' ' LYS . 3.0 t-20 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.937 -179.16 . . . . . . . . 1 1 . 1 stop_ save_